CID 21501531
2-(cyclopentanesulfonyl)acetic acid
Structural Information
- Molecular Formula
- C7H12O4S
- SMILES
- C1CCC(C1)S(=O)(=O)CC(=O)O
- InChI
- InChI=1S/C7H12O4S/c8-7(9)5-12(10,11)6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
- InChIKey
- GYSJLCXFVYTGOS-UHFFFAOYSA-N
- Compound name
- 2-cyclopentylsulfonylacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.05290 | 141.6 |
[M+Na]+ | 215.03484 | 148.3 |
[M+NH4]+ | 210.07944 | 148.0 |
[M+K]+ | 231.00878 | 145.3 |
[M-H]- | 191.03834 | 139.6 |
[M+Na-2H]- | 213.02029 | 142.8 |
[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.