CID 3032523
1-methyl-2,4-dithiobiuret
Structural Information
- Molecular Formula
- C3H7N3S2
- SMILES
- CNC(=S)NC(=S)N
- InChI
- InChI=1S/C3H7N3S2/c1-5-3(8)6-2(4)7/h1H3,(H4,4,5,6,7,8)
- InChIKey
- NHCNHWGNPGMBSS-UHFFFAOYSA-N
- Compound name
- 1-carbamothioyl-3-methylthiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 150.01541 | 127.5 |
[M+Na]+ | 171.99735 | 133.1 |
[M-H]- | 148.00085 | 126.9 |
[M+NH4]+ | 167.04195 | 147.6 |
[M+K]+ | 187.97129 | 129.4 |
[M+H-H2O]+ | 132.00539 | 121.2 |
[M+HCOO]- | 194.00633 | 140.4 |
[M+CH3COO]- | 208.02198 | 178.8 |
[M+Na-2H]- | 169.98280 | 127.8 |
[M]+ | 149.00758 | 123.6 |
[M]- | 149.00868 | 123.6 |