CID 135502773

103980-68-3

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCCC1=C(N=CNC1=O)C

InChI

InChI=1S/C8H12N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)

InChIKey

UAJIFHDSCLQUON-UHFFFAOYSA-N

Compound name

4-methyl-5-propyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 152.09496 Da
Monoisotopic Mass: 1.0
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	131.6
[M+Na]+	175.08418	145.1
[M+NH4]+	170.12878	139.1
[M+K]+	191.05812	138.8
[M-H]-	151.08768	132.2
[M+Na-2H]-	173.06963	138.1
[M]+	152.09441	133.6
[M]-	152.09551	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe