CID 138946

4-methoxy-1-methyl-2(1h)-pyrimidinone

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CN1C=CC(=NC1=O)OC

InChI

InChI=1S/C6H8N2O2/c1-8-4-3-5(10-2)7-6(8)9/h3-4H,1-2H3

InChIKey

OKKDJPCAKBHZBZ-UHFFFAOYSA-N

Compound name

4-methoxy-1-methylpyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 140.05858 Da
Monoisotopic Mass: -0.1
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]+	141.065856	123.7
[M+Na]+	163.047798	134.7
[M-H]-	139.051304	125.6
[M+NH4]+	158.092403	143.3
[M+K]+	179.021738	133.7
[M+H-H2O]+	123.055840	117.1
[M+HCOO]-	185.056781	147.3
[M+CH3COO]-	199.072431	173.2
[M+Na-2H]-	161.033246	132.3
[M]+	140.05803142	126.6
[M]-	140.05912858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe