CID 459098
68561-10-4
Structural Information
- Molecular Formula
- C5H7NO5S2
- SMILES
- C1C(=O)N(C(=S)O1)CCS(=O)(=O)O
- InChI
- InChI=1S/C5H7NO5S2/c7-4-3-11-5(12)6(4)1-2-13(8,9)10/h1-3H2,(H,8,9,10)
- InChIKey
- PPMCSZRGJHEBAY-UHFFFAOYSA-N
- Compound name
- 2-(4-oxo-2-sulfanylidene-1,3-oxazolidin-3-yl)ethanesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.98384 | 144.0 |
[M+Na]+ | 247.96578 | 153.2 |
[M-H]- | 223.96928 | 145.8 |
[M+NH4]+ | 243.01038 | 161.3 |
[M+K]+ | 263.93972 | 150.9 |
[M+H-H2O]+ | 207.97382 | 139.8 |
[M+HCOO]- | 269.97476 | 153.7 |
[M+CH3COO]- | 283.99041 | 178.7 |
[M+Na-2H]- | 245.95123 | 144.9 |
[M]+ | 224.97601 | 147.1 |
[M]- | 224.97711 | 147.1 |
Literature stripe
No literature data available for this compound.