CID 57937863
1151713-51-7
Structural Information
- Molecular Formula
- C8H14O3S
- SMILES
- CCOC(=O)C(C)(C)SC(=O)C
- InChI
- InChI=1S/C8H14O3S/c1-5-11-7(10)8(3,4)12-6(2)9/h5H2,1-4H3
- InChIKey
- HBIAHXSWNHKUNY-UHFFFAOYSA-N
- Compound name
- ethyl 2-acetylsulfanyl-2-methylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.07364 | 141.5 |
[M+Na]+ | 213.05558 | 148.3 |
[M-H]- | 189.05908 | 142.1 |
[M+NH4]+ | 208.10018 | 161.8 |
[M+K]+ | 229.02952 | 148.0 |
[M+H-H2O]+ | 173.06362 | 136.9 |
[M+HCOO]- | 235.06456 | 156.8 |
[M+CH3COO]- | 249.08021 | 181.8 |
[M+Na-2H]- | 211.04103 | 142.7 |
[M]+ | 190.06581 | 146.7 |
[M]- | 190.06691 | 146.7 |
Literature stripe
No literature data available for this compound.