CID 4280
3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid
Structural Information
- Molecular Formula
- C11H15NO6S
- SMILES
- C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)C(=O)O
- InChI
- InChI=1S/C11H15NO6S/c13-6-4-12(5-7-14)19(17,18)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16)
- InChIKey
- VSAROEOXRAJEFU-UHFFFAOYSA-N
- Compound name
- 3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 290.06928 | 160.7 |
[M+Na]+ | 312.05122 | 165.8 |
[M-H]- | 288.05472 | 161.2 |
[M+NH4]+ | 307.09582 | 174.3 |
[M+K]+ | 328.02516 | 163.4 |
[M+H-H2O]+ | 272.05926 | 154.2 |
[M+HCOO]- | 334.06020 | 175.3 |
[M+CH3COO]- | 348.07585 | 194.6 |
[M+Na-2H]- | 310.03667 | 162.8 |
[M]+ | 289.06145 | 163.9 |
[M]- | 289.06255 | 163.9 |