CID 96391
26978-64-3
Structural Information
- Molecular Formula
- C4H10O4S
- SMILES
- C(CCS(=O)(=O)O)CO
- InChI
- InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)
- InChIKey
- YEGPVWSPNYPPIK-UHFFFAOYSA-N
- Compound name
- 4-hydroxybutane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 155.03726 | 129.0 |
[M+Na]+ | 177.01920 | 136.6 |
[M-H]- | 153.02270 | 126.8 |
[M+NH4]+ | 172.06380 | 149.0 |
[M+K]+ | 192.99314 | 134.8 |
[M+H-H2O]+ | 137.02724 | 124.9 |
[M+HCOO]- | 199.02818 | 144.6 |
[M+CH3COO]- | 213.04383 | 166.3 |
[M+Na-2H]- | 175.00465 | 133.3 |
[M]+ | 154.02943 | 131.5 |
[M]- | 154.03053 | 131.5 |