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
8
Annotation Hits

34
References

1157
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

literature stripe

Patent stripe

patents stripe