CID 1050
Pyridoxal
Structural Information
- Molecular Formula
- C8H9NO3
- SMILES
- CC1=NC=C(C(=C1O)C=O)CO
- InChI
- InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
- InChIKey
- RADKZDMFGJYCBB-UHFFFAOYSA-N
- Compound name
- 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 168.06552 | 132.0 |
[M+Na]+ | 190.04746 | 142.0 |
[M-H]- | 166.05096 | 132.6 |
[M+NH4]+ | 185.09206 | 150.5 |
[M+K]+ | 206.02140 | 139.4 |
[M+H-H2O]+ | 150.05550 | 126.4 |
[M+HCOO]- | 212.05644 | 153.4 |
[M+CH3COO]- | 226.07209 | 174.5 |
[M+Na-2H]- | 188.03291 | 137.7 |
[M]+ | 167.05769 | 133.1 |
[M]- | 167.05879 | 133.1 |