CID 135502773
103980-68-3
Structural Information
- Molecular Formula
- C8H12N2O
- SMILES
- CCCC1=C(N=CNC1=O)C
- InChI
- InChI=1S/C8H12N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)
- InChIKey
- UAJIFHDSCLQUON-UHFFFAOYSA-N
- Compound name
- 4-methyl-5-propyl-1H-pyrimidin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.10224 | 131.6 |
[M+Na]+ | 175.08418 | 145.1 |
[M+NH4]+ | 170.12878 | 139.1 |
[M+K]+ | 191.05812 | 138.8 |
[M-H]- | 151.08768 | 132.2 |
[M+Na-2H]- | 173.06963 | 138.1 |
[M]+ | 152.09441 | 133.6 |
[M]- | 152.09551 | 133.6 |
Literature stripe
No literature data available for this compound.