CID 135437273

55996-28-6

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CC1=CC(=O)NC(=N1)OC

InChI

InChI=1S/C6H8N2O2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)

InChIKey

CRYUGFDHGVCIJW-UHFFFAOYSA-N

Compound name

2-methoxy-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
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]+	141.06586	125.9
[M+Na]+	163.04780	139.3
[M+NH4]+	158.09240	133.1
[M+K]+	179.02174	134.0
[M-H]-	139.05130	125.9
[M+Na-2H]-	161.03325	132.4
[M]+	140.05803	127.6
[M]-	140.05913	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe