| SpectraBase Spectrum ID |
8HJexQpLXQe |
| Name |
Pseudoecgonine methyl ester |
| CAS Registry Number |
99189-88-5 |
| Classification |
Drug metabolite, Metabolic byproduct of cocaine |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
199.120843408 u |
| Formula |
C10H17NO3 |
| InChI |
InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1 |
| InChIKey |
QIQNNBXHAYSQRY-KZVJFYERSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
199.250 g/mol |
| Nominal Mass |
199 u |
| Quality |
989 |
| Retention Index |
1567 |
| SMILES |
O[C@@]1([C@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OC)=O)[H])[H] |
| SPLASH |
splash10-001j-9100000000-33f21650b4c278060d65 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005640 |
![METHYL-(ENDO,ENDO)-3-HYDROXY-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-2-CARBOXYLATE](/api/spectrum/8HJexQpLXQe/structure.png?h=300&w=458 "METHYL-(ENDO,ENDO)-3-HYDROXY-8-METHYL-8-AZABICYCLO-[3.2.1]-OCTANE-2-CARBOXYLATE")
