| SpectraBase Spectrum ID |
JGvKgPXmCrA |
| Name |
Cytisine |
| CAS Registry Number |
485-35-8 |
| Classification |
Smoking cessation drug |
| 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 |
190.110613078 u |
| Formula |
C11H14N2O |
| InChI |
InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m1/s1 |
| InChIKey |
ANJTVLIZGCUXLD-BDAKNGLRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.246 g/mol |
| Nominal Mass |
190 u |
| Quality |
924 |
| Retention Index |
1588 |
| SMILES |
C=12N(C[C@@]3(C[C@]2(CNC3)[H])[H])C(C=CC1)=O |
| SPLASH |
splash10-0002-3900000000-643b5dc6a2d5396bf561 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S)-1,2,3,4,5,6-Hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030975 |
