CID 444552
4-deoxy-2-o-sulfo-alpha-l-threo-hex-4-enopyranuronic acid
Structural Information
- Molecular Formula
- C6H8O9S
- SMILES
- C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O
- InChI
- InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1
- InChIKey
- VJIMUKBSNUBECH-YKKSOZKNSA-N
- Compound name
- (2R,3R,4S)-2,4-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.99618 | 144.1 |
[M+Na]+ | 278.97812 | 150.6 |
[M-H]- | 254.98162 | 143.2 |
[M+NH4]+ | 274.02272 | 156.8 |
[M+K]+ | 294.95206 | 150.4 |
[M+H-H2O]+ | 238.98616 | 139.2 |
[M+HCOO]- | 300.98710 | 154.3 |
[M+CH3COO]- | 315.00275 | 180.0 |
[M+Na-2H]- | 276.96357 | 147.2 |
[M]+ | 255.98835 | 146.3 |
[M]- | 255.98945 | 146.3 |