CID 73750
S-methyl thioacetate
Structural Information
- Molecular Formula
- C3H6OS
- SMILES
- CC(=O)SC
- InChI
- InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
- InChIKey
- OATSQCXMYKYFQO-UHFFFAOYSA-N
- Compound name
- S-methyl ethanethioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 91.021216 | 113.3 |
[M+Na]+ | 113.00316 | 121.9 |
[M-H]- | 89.006664 | 114.5 |
[M+NH4]+ | 108.04776 | 137.7 |
[M+K]+ | 128.97710 | 121.8 |
[M+H-H2O]+ | 73.011200 | 109.3 |
[M+HCOO]- | 135.01214 | 131.9 |
[M+CH3COO]- | 149.02779 | 163.3 |
[M+Na-2H]- | 110.98861 | 117.1 |
[M]+ | 90.013391 | 115.5 |
[M]- | 90.014489 | 115.5 |