CID 135444498

2814-20-2

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=CC(=O)NC(=N1)C(C)C
InChI
InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKey
AJPIUNPJBFBUKK-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

34
References

1274
Patents

152.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.9
[M+Na]+ 175.08418 140.3
[M-H]- 151.08768 131.1
[M+NH4]+ 170.12878 149.3
[M+K]+ 191.05812 137.9
[M+H-H2O]+ 135.09222 124.5
[M+HCOO]- 197.09316 151.1
[M+CH3COO]- 211.10881 175.4
[M+Na-2H]- 173.06963 136.6
[M]+ 152.09441 130.5
[M]- 152.09551 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.