| SpectraBase Spectrum ID |
8JNdaeOaitU |
| Name |
Gabapentin |
| CAS Registry Number |
60142-96-3 |
| Classification |
Pharmaceutical drug, antiepileptic |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.125928789 u |
| Formula |
C9H17NO2 |
| InChI |
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
| InChIKey |
UGJMXCAKCUNAIE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.240 g/mol |
| Nominal Mass |
171 u |
| Quality |
816 |
| SMILES |
OC(CC1(CN)CCCCC1)=O |
| SPLASH |
splash10-001i-9300000000-f357c09e5f198b172f88 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid,2-[1-(aminomethyl)cyclohexyl]
2-[1-(aminomethyl)cyclohexyl]acetic acid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_001544 |
