CID 3036745
68831-68-5
Structural Information
- Molecular Formula
- C6H9NOS
- SMILES
- C=CCC1CNC(=S)O1
- InChI
- InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)
- InChIKey
- QEKDLBSHZCJKRO-UHFFFAOYSA-N
- Compound name
- 5-prop-2-enyl-1,3-oxazolidine-2-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 144.04776 | 128.7 |
[M+Na]+ | 166.02970 | 136.9 |
[M-H]- | 142.03320 | 130.4 |
[M+NH4]+ | 161.07430 | 149.5 |
[M+K]+ | 182.00364 | 134.9 |
[M+H-H2O]+ | 126.03774 | 123.8 |
[M+HCOO]- | 188.03868 | 143.9 |
[M+CH3COO]- | 202.05433 | 168.3 |
[M+Na-2H]- | 164.01515 | 130.2 |
[M]+ | 143.03993 | 127.3 |
[M]- | 143.04103 | 127.3 |