CID 974447
712319-44-3
Structural Information
- Molecular Formula
- C10H11NO4S
- SMILES
- CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)O
- InChI
- InChI=1S/C10H11NO4S/c1-16(14,15)11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,12,13)
- InChIKey
- JNMXVSCEGKFVJR-UHFFFAOYSA-N
- Compound name
- 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 242.04816 | 151.1 |
[M+Na]+ | 264.03010 | 160.6 |
[M+NH4]+ | 259.07470 | 157.7 |
[M+K]+ | 280.00404 | 157.0 |
[M-H]- | 240.03360 | 149.7 |
[M+Na-2H]- | 262.01555 | 153.4 |
[M]+ | 241.04033 | 152.2 |
[M]- | 241.04143 | 152.2 |