CID 25201688
2-(sulfomethyl)thiazolidine-4-carboxylate
Structural Information
- Molecular Formula
- C5H9NO5S2
- SMILES
- C1[C@H](NC(S1)CS(=O)(=O)O)C(=O)O
- InChI
- InChI=1S/C5H9NO5S2/c7-5(8)3-1-12-4(6-3)2-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H,9,10,11)/t3-,4?/m0/s1
- InChIKey
- HYGZRLVEUKTESI-WUCPZUCCSA-N
- Compound name
- (4R)-2-(sulfomethyl)-1,3-thiazolidine-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.99950 | 146.4 |
[M+Na]+ | 249.98144 | 153.0 |
[M-H]- | 225.98494 | 144.1 |
[M+NH4]+ | 245.02604 | 162.9 |
[M+K]+ | 265.95538 | 149.1 |
[M+H-H2O]+ | 209.98948 | 142.0 |
[M+HCOO]- | 271.99042 | 152.4 |
[M+CH3COO]- | 286.00607 | 174.4 |
[M+Na-2H]- | 247.96689 | 145.5 |
[M]+ | 226.99167 | 145.1 |
[M]- | 226.99277 | 145.1 |
Literature stripe
Patent stripe
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