CID 249990
6-(hydroxymethyl)pyridine-3,4-diol
Structural Information
- Molecular Formula
- C6H7NO3
- SMILES
- C1=C(NC=C(C1=O)O)CO
- InChI
- InChI=1S/C6H7NO3/c8-3-4-1-5(9)6(10)2-7-4/h1-2,8,10H,3H2,(H,7,9)
- InChIKey
- NZRGARKXMKFZDU-UHFFFAOYSA-N
- Compound name
- 5-hydroxy-2-(hydroxymethyl)-1H-pyridin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 142.04987 | 124.6 |
[M+Na]+ | 164.03181 | 134.0 |
[M-H]- | 140.03531 | 123.7 |
[M+NH4]+ | 159.07641 | 143.2 |
[M+K]+ | 180.00575 | 130.9 |
[M+H-H2O]+ | 124.03985 | 119.4 |
[M+HCOO]- | 186.04079 | 145.1 |
[M+CH3COO]- | 200.05644 | 164.8 |
[M+Na-2H]- | 162.01726 | 131.4 |
[M]+ | 141.04204 | 122.7 |
[M]- | 141.04314 | 122.7 |