CID 362838
2-benzenesulfonamidopropanoic acid
Structural Information
- Molecular Formula
- C9H11NO4S
- SMILES
- CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1
- InChI
- InChI=1S/C9H11NO4S/c1-7(9(11)12)10-15(13,14)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
- InChIKey
- KHLXTMZRKBVYST-UHFFFAOYSA-N
- Compound name
- 2-(benzenesulfonamido)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 230.04816 | 146.7 |
[M+Na]+ | 252.03010 | 152.9 |
[M-H]- | 228.03360 | 149.0 |
[M+NH4]+ | 247.07470 | 163.6 |
[M+K]+ | 268.00404 | 150.6 |
[M+H-H2O]+ | 212.03814 | 140.8 |
[M+HCOO]- | 274.03908 | 163.2 |
[M+CH3COO]- | 288.05473 | 185.2 |
[M+Na-2H]- | 250.01555 | 150.3 |
[M]+ | 229.04033 | 147.9 |
[M]- | 229.04143 | 147.9 |