CID 1540618
6-methyl-5-propyl-2-thiouracil
Structural Information
- Molecular Formula
- C8H12N2OS
- SMILES
- CCCC1=C(NC(=S)NC1=O)C
- InChI
- InChI=1S/C8H12N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
- InChIKey
- XZVYOSIHDWNKKK-UHFFFAOYSA-N
- Compound name
- 6-methyl-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.07431 | 139.7 |
[M+Na]+ | 207.05625 | 152.4 |
[M+NH4]+ | 202.10085 | 146.9 |
[M+K]+ | 223.03019 | 144.4 |
[M-H]- | 183.05975 | 139.7 |
[M+Na-2H]- | 205.04170 | 144.0 |
[M]+ | 184.06648 | 141.8 |
[M]- | 184.06758 | 141.8 |