CID 84664060
1708269-16-2
Structural Information
- Molecular Formula
- C7H12O4S
- SMILES
- CS(=O)(=O)CC1(CCC1)C(=O)O
- InChI
- InChI=1S/C7H12O4S/c1-12(10,11)5-7(6(8)9)3-2-4-7/h2-5H2,1H3,(H,8,9)
- InChIKey
- WLKWHXHWEFZCJT-UHFFFAOYSA-N
- Compound name
- 1-(methylsulfonylmethyl)cyclobutane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 193.05290 | 139.8 |
[M+Na]+ | 215.03484 | 143.0 |
[M+NH4]+ | 210.07944 | 143.4 |
[M+K]+ | 231.00878 | 138.9 |
[M-H]- | 191.03834 | 135.1 |
[M+Na-2H]- | 213.02029 | 140.9 |
[M]+ | 192.04507 | 138.0 |
[M]- | 192.04617 | 138.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.