CID 440898
5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
Structural Information
- Molecular Formula
- C8H7NO4
- SMILES
- CC1=NC=C(C(=C1O)C(=O)O)C=O
- InChI
- InChI=1S/C8H7NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2-3,11H,1H3,(H,12,13)
- InChIKey
- JTWNWNJMNSJYDL-UHFFFAOYSA-N
- Compound name
- 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.04478 | 133.3 |
[M+Na]+ | 204.02672 | 143.2 |
[M-H]- | 180.03022 | 134.0 |
[M+NH4]+ | 199.07132 | 151.0 |
[M+K]+ | 220.00066 | 141.1 |
[M+H-H2O]+ | 164.03476 | 127.7 |
[M+HCOO]- | 226.03570 | 154.2 |
[M+CH3COO]- | 240.05135 | 176.7 |
[M+Na-2H]- | 202.01217 | 137.8 |
[M]+ | 181.03695 | 134.5 |
[M]- | 181.03805 | 134.5 |