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

1284
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 131.7
[M+Na]+ 175.08418 144.9
[M+NH4]+ 170.12878 139.1
[M+K]+ 191.05812 139.4
[M-H]- 151.08768 132.0
[M+Na-2H]- 173.06963 137.8
[M]+ 152.09441 133.5
[M]- 152.09551 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe