CID 240083
4-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid
Structural Information
- Molecular Formula
- C13H19NO4S
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O
- InChI
- InChI=1S/C13H19NO4S/c1-9(2)8-12(13(15)16)14-19(17,18)11-6-4-10(3)5-7-11/h4-7,9,12,14H,8H2,1-3H3,(H,15,16)
- InChIKey
- DNBHSCLUHQKGMD-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.11078 | 163.4 |
[M+Na]+ | 308.09272 | 168.4 |
[M-H]- | 284.09622 | 165.3 |
[M+NH4]+ | 303.13732 | 178.2 |
[M+K]+ | 324.06666 | 165.8 |
[M+H-H2O]+ | 268.10076 | 157.1 |
[M+HCOO]- | 330.10170 | 177.4 |
[M+CH3COO]- | 344.11735 | 199.4 |
[M+Na-2H]- | 306.07817 | 163.4 |
[M]+ | 285.10295 | 165.8 |
[M]- | 285.10405 | 165.8 |
Literature stripe
No literature data available for this compound.