CID 758997
3-(thiophene-2-sulfonamido)propanoic acid
Structural Information
- Molecular Formula
- C7H9NO4S2
- SMILES
- C1=CSC(=C1)S(=O)(=O)NCCC(=O)O
- InChI
- InChI=1S/C7H9NO4S2/c9-6(10)3-4-8-14(11,12)7-2-1-5-13-7/h1-2,5,8H,3-4H2,(H,9,10)
- InChIKey
- PGHCOXJSXMMPHU-UHFFFAOYSA-N
- Compound name
- 3-(thiophen-2-ylsulfonylamino)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 236.00458 | 149.8 |
[M+Na]+ | 257.98652 | 157.0 |
[M-H]- | 233.99002 | 151.8 |
[M+NH4]+ | 253.03112 | 168.4 |
[M+K]+ | 273.96046 | 153.2 |
[M+H-H2O]+ | 217.99456 | 144.4 |
[M+HCOO]- | 279.99550 | 162.8 |
[M+CH3COO]- | 294.01115 | 183.1 |
[M+Na-2H]- | 255.97197 | 151.3 |
[M]+ | 234.99675 | 152.4 |
[M]- | 234.99785 | 152.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.