CID 21886
2,2-dimethyl-1,3-oxathiolane
Structural Information
- Molecular Formula
- C5H10OS
- SMILES
- CC1(OCCS1)C
- InChI
- InChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
- InChIKey
- XLSCZCCJPDTCGU-UHFFFAOYSA-N
- Compound name
- 2,2-dimethyl-1,3-oxathiolane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 119.05251 | 120.2 |
[M+Na]+ | 141.03445 | 128.5 |
[M-H]- | 117.03796 | 124.9 |
[M+NH4]+ | 136.07906 | 145.9 |
[M+K]+ | 157.00839 | 129.3 |
[M+H-H2O]+ | 101.04250 | 116.8 |
[M+HCOO]- | 163.04344 | 138.1 |
[M+CH3COO]- | 177.05909 | 165.6 |
[M+Na-2H]- | 139.01990 | 125.2 |
[M]+ | 118.04469 | 121.2 |
[M]- | 118.04578 | 121.2 |