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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe