CID 720471
636-26-0
Structural Information
- Molecular Formula
- C5H6N2OS
- SMILES
- CC1=CNC(=S)NC1=O
- InChI
- InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
- InChIKey
- ZLAQATDNGLKIEV-UHFFFAOYSA-N
- Compound name
- 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 143.02736 | 123.8 |
[M+Na]+ | 165.00930 | 134.9 |
[M-H]- | 141.01280 | 123.2 |
[M+NH4]+ | 160.05390 | 142.5 |
[M+K]+ | 180.98324 | 129.9 |
[M+H-H2O]+ | 125.01734 | 118.4 |
[M+HCOO]- | 187.01828 | 139.4 |
[M+CH3COO]- | 201.03393 | 165.9 |
[M+Na-2H]- | 162.99475 | 128.1 |
[M]+ | 142.01953 | 122.5 |
[M]- | 142.02063 | 122.5 |