| SpectraBase Spectrum ID |
2oEArulRkzg |
| Name |
Nicotine |
| CAS Registry Number |
54-11-5 |
| Classification |
Ingredient of tobacco, insecticide |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
162.115698459 u |
| Formula |
C10H14N2 |
| InChI |
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3 |
| InChIKey |
SNICXCGAKADSCV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
162.236 g/mol |
| Nominal Mass |
162 u |
| Quality |
1000 |
| Retention Index |
1348 |
| SMILES |
C1(C=2C=NC=CC2)N(CCC1)C |
| SPLASH |
splash10-001i-9600000000-420758c35a6baf395abd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(1-methylpyrrolidin-2-yl)pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031229 |
