CID 12395031
2-ethoxy-1,3-oxathiolan-5-one
Structural Information
- Molecular Formula
- C5H8O3S
- SMILES
- CCOC1OC(=O)CS1
- InChI
- InChI=1S/C5H8O3S/c1-2-7-5-8-4(6)3-9-5/h5H,2-3H2,1H3
- InChIKey
- IWANCIFZTWVRRE-UHFFFAOYSA-N
- Compound name
- 2-ethoxy-1,3-oxathiolan-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 149.02669 | 126.8 |
[M+Na]+ | 171.00863 | 135.2 |
[M-H]- | 147.01213 | 131.5 |
[M+NH4]+ | 166.05323 | 149.3 |
[M+K]+ | 186.98257 | 136.0 |
[M+H-H2O]+ | 131.01667 | 122.5 |
[M+HCOO]- | 193.01761 | 145.3 |
[M+CH3COO]- | 207.03326 | 170.2 |
[M+Na-2H]- | 168.99408 | 129.9 |
[M]+ | 148.01886 | 130.0 |
[M]- | 148.01996 | 130.0 |
Literature stripe
Patent stripe
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