SpectraBase Spectrum ID |
DnFFmZJOvhY |
Name |
Nicotinyl alcohol |
CAS Registry Number |
100-55-0 |
Classification |
Pharmaceutical drug, vasodilator |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
109.052763848 u |
Formula |
C6H7NO |
InChI |
InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 |
InChIKey |
MVQVNTPHUGQQHK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
109.128 g/mol |
Nominal Mass |
109 u |
Quality |
974 |
Retention Index |
1184 |
SMILES |
OCC1=CC=CN=C1 |
SPLASH |
splash10-0a4i-9800000000-e423066d9f1b00d19ee7 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-Pyridylmethanol |
Technique |
GC/MS |
Wiley ID |
DD2024_013304 |