CID 135502019
3438-49-1
Structural Information
- Molecular Formula
- C8H12N2O
- SMILES
- CC(C)(C)C1=CC(=O)NC=N1
- InChI
- InChI=1S/C8H12N2O/c1-8(2,3)6-4-7(11)10-5-9-6/h4-5H,1-3H3,(H,9,10,11)
- InChIKey
- HPQRLELYJOCYDQ-UHFFFAOYSA-N
- Compound name
- 4-tert-butyl-1H-pyrimidin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.10224 | 132.1 |
[M+Na]+ | 175.08418 | 144.9 |
[M+NH4]+ | 170.12878 | 139.5 |
[M+K]+ | 191.05812 | 139.7 |
[M-H]- | 151.08768 | 132.0 |
[M+Na-2H]- | 173.06963 | 138.7 |
[M]+ | 152.09441 | 133.9 |
[M]- | 152.09551 | 133.9 |
Literature stripe
No literature data available for this compound.