| SpectraBase Spectrum ID |
A8Dn0NpSRIu |
| Name |
Gabapentin-A (-H2O) |
| CAS Registry Number |
64744-50-9 |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
153.115364106 u |
| Formula |
C9H15NO |
| InChI |
InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) |
| InChIKey |
JAWPQJDOQPSNIQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
153.225 g/mol |
| Nominal Mass |
153 u |
| Quality |
1000 |
| Retention Index |
1249 |
| SMILES |
C12(CNC(C2)=O)CCCCC1 |
| SPLASH |
splash10-0ue9-9500000000-28970d71ed78fcb2e1e3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Gabapentin lactam
2-azaspiro[4.5]decan-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025729 |
