| SpectraBase Spectrum ID |
2mJkR93duts |
| Name |
Hydroxycotinine TMS |
| CAS Registry Number |
55590-80-2 |
| Classification |
Nicotine metabolite derivative |
| 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 |
264.129404425 u |
| Formula |
C13H20N2O2Si |
| InChI |
InChI=1S/C13H20N2O2Si/c1-15-11(10-6-5-7-14-9-10)8-12(13(15)16)17-18(2,3)4/h5-7,9,11-12H,8H2,1-4H3 |
| InChIKey |
HYTDUAPLYVHNHI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.400 g/mol |
| Nominal Mass |
264 u |
| Quality |
944 |
| Retention Index |
2027 |
| SMILES |
C1(N(C(C(C1)O[Si](C)(C)C)=O)C)C=1C=NC=CC1 |
| SPLASH |
splash10-0002-5690000000-fbadcc279bc6551f0c93 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-5-(pyridin-3-yl)-3-((trimethylsilyl)oxy)pyrrolidin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030783 |
