CID 146155338
2416234-55-2
Structural Information
- Molecular Formula
- C5H9NO3S
- SMILES
- COC(=O)C1CS(=N)(=O)C1
- InChI
- InChI=1S/C5H9NO3S/c1-9-5(7)4-2-10(6,8)3-4/h4,6H,2-3H2,1H3
- InChIKey
- VYRGEOIHOCPMIG-UHFFFAOYSA-N
- Compound name
- methyl 1-imino-1-oxothietane-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 164.03760 | 127.7 |
[M+Na]+ | 186.01954 | 133.4 |
[M-H]- | 162.02304 | 131.4 |
[M+NH4]+ | 181.06414 | 143.5 |
[M+K]+ | 201.99348 | 135.7 |
[M+H-H2O]+ | 146.02758 | 117.7 |
[M+HCOO]- | 208.02852 | 145.3 |
[M+CH3COO]- | 222.04417 | 178.6 |
[M+Na-2H]- | 184.00499 | 131.2 |
[M]+ | 163.02977 | 137.4 |
[M]- | 163.03087 | 137.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.