| SpectraBase Spectrum ID |
JFpaPi7j8fg |
| Name |
Ecgonine |
| CAS Registry Number |
481-37-8 |
| Classification |
Drug metabolite |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.12 (b) (4) |
| DEA Controlled Substance Name |
Coca leaves (9040) any salt, compound, derivative or preparation of coca leaves (including cocaine (9041) and ecgonine (9180) and their salts, isomers, derivatives and salts of isomers and derivatives), and any salt, compound, derivative, or preparation thereof which is chemically equivalent or identical with any of these substances, except that the substances shall not include: |
| DEA Controlled Substance Type |
Salts, isomers, derivatives and salts of isomers and derivatives |
| DEA Schedule |
Schedule II |
| DEA Section |
Substances, vegetable origin or chemical synthesis. Unless specifically excepted or unless listed in another schedule, any of the following substances whether produced directly or indirectly by extraction from substances of vegetable origin, or independently by means of chemical synthesis, or by a combination of extraction and chemical synthesis |
| Exact Mass |
185.105193344 u |
| Formula |
C9H15NO3 |
| InChI |
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1 |
| InChIKey |
PHMBVCPLDPDESM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
185.223 g/mol |
| Nominal Mass |
185 u |
| Quality |
839 |
| Retention Index |
1505 |
| SMILES |
O[C@@]1([C@](C(=O)O)([C@@]2(N([C@](C1)(CC2)[H])C)[H])[H])[H] |
| SPLASH |
splash10-053s-9200000000-2100204b77ef44aa6713 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cocaine-M
(1R,2R,3S,5S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001274 |
