| SpectraBase Spectrum ID |
A5Dl4VmYkMS |
| Name |
Ecgonine AC |
| Classification |
Cocaine metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
227.115758027 u |
| Formula |
C11H17NO4 |
| InChI |
InChI=1S/C11H17NO4/c1-6(13)16-9-5-7-3-4-8(12(7)2)10(9)11(14)15/h7-10H,3-5H2,1-2H3,(H,14,15)/t7-,8+,9-,10+/m0/s1 |
| InChIKey |
NRKPBKPZDOPRAB-QCLAVDOMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
227.260 g/mol |
| Nominal Mass |
227 u |
| Quality |
992 |
| Retention Index |
1726 |
| SMILES |
OC([C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(=O)C)[H])[H])=O |
| SPLASH |
splash10-00rx-9500000000-215be9cb3875c34e4a44 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033118 |
