| SpectraBase Spectrum ID |
5VvGv1CcXNw |
| Name |
Nicotine-N-oxide |
| Classification |
Nicotine metabolite |
| 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 |
178.110613078 u |
| Formula |
C10H14N2O |
| InChI |
InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| InChIKey |
RWFBQHICRCUQJJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.235 g/mol |
| Nominal Mass |
178 u |
| Quality |
995 |
| Retention Index |
1445 |
| SMILES |
C1([N+](CCC1)([O-])C)C1=CC=CN=C1 |
| SPLASH |
splash10-014i-9700000000-a60c1b4cbb285c18af6e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-2-(pyridin-3-yl)-1lambda5-pyrrolidin-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031230 |
