CID 12424891
Methyl 4-methanesulfonylbutanoate
Structural Information
- Molecular Formula
- C6H12O4S
- SMILES
- COC(=O)CCCS(=O)(=O)C
- InChI
- InChI=1S/C6H12O4S/c1-10-6(7)4-3-5-11(2,8)9/h3-5H2,1-2H3
- InChIKey
- AXBHSQJTKHWHLX-UHFFFAOYSA-N
- Compound name
- methyl 4-methylsulfonylbutanoate
- 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 | 147.4 |
[M+NH4]+ | 198.07944 | 145.2 |
[M+K]+ | 219.00878 | 142.2 |
[M-H]- | 179.03834 | 136.1 |
[M+Na-2H]- | 201.02029 | 140.3 |
[M]+ | 180.04507 | 139.5 |
[M]- | 180.04617 | 139.5 |
Literature stripe
No literature data available for this compound.