CID 11469245
Schembl4234637
Structural Information
- Molecular Formula
- C6H10O3S
- SMILES
- CS(=O)CCOC(=O)C=C
- InChI
- InChI=1S/C6H10O3S/c1-3-6(7)9-4-5-10(2)8/h3H,1,4-5H2,2H3
- InChIKey
- TZKAAJHHGXWOGK-UHFFFAOYSA-N
- Compound name
- 2-methylsulfinylethyl prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.04234 | 131.7 |
[M+Na]+ | 185.02428 | 139.2 |
[M-H]- | 161.02778 | 132.3 |
[M+NH4]+ | 180.06888 | 152.9 |
[M+K]+ | 200.99822 | 138.3 |
[M+H-H2O]+ | 145.03232 | 126.9 |
[M+HCOO]- | 207.03326 | 149.3 |
[M+CH3COO]- | 221.04891 | 175.3 |
[M+Na-2H]- | 183.00973 | 133.0 |
[M]+ | 162.03451 | 136.0 |
[M]- | 162.03561 | 136.0 |