CID 65046974
1494742-12-9
Structural Information
- Molecular Formula
- C7H12O4S
- SMILES
- CS(=O)(=O)C1CCCC1C(=O)O
- InChI
- InChI=1S/C7H12O4S/c1-12(10,11)6-4-2-3-5(6)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
- InChIKey
- PDCUOZZSUQYXMI-UHFFFAOYSA-N
- Compound name
- 2-methylsulfonylcyclopentane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.05290 | 141.4 |
[M+Na]+ | 215.03484 | 148.5 |
[M+NH4]+ | 210.07944 | 147.9 |
[M+K]+ | 231.00878 | 145.8 |
[M-H]- | 191.03834 | 139.5 |
[M+Na-2H]- | 213.02029 | 142.4 |
[M]+ | 192.04507 | 141.9 |
[M]- | 192.04617 | 141.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.