CID 5302379
2-(butane-1-sulfonyl)acetic acid
Structural Information
- Molecular Formula
- C6H12O4S
- SMILES
- CCCCS(=O)(=O)CC(=O)O
- InChI
- InChI=1S/C6H12O4S/c1-2-3-4-11(9,10)5-6(7)8/h2-5H2,1H3,(H,7,8)
- InChIKey
- BUEVTXQZLGSQGC-UHFFFAOYSA-N
- Compound name
- 2-butylsulfonylacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 181.05290 | 139.0 |
[M+Na]+ | 203.03484 | 146.8 |
[M+NH4]+ | 198.07944 | 144.8 |
[M+K]+ | 219.00878 | 141.9 |
[M-H]- | 179.03834 | 135.5 |
[M+Na-2H]- | 201.02029 | 139.7 |
[M]+ | 180.04507 | 139.2 |
[M]- | 180.04617 | 139.2 |
Literature stripe
No literature data available for this compound.