CID 135472985

55417-80-6

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC1=CC(=O)NC(=N1)C2=CC=CC=N2

InChI

InChI=1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)

InChIKey

DQUCWFVHSABFCW-UHFFFAOYSA-N

Compound name

4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 16
Patents: 187.07455 Da
Monoisotopic Mass: 0.6
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]+	188.08183	139.2
[M+Na]+	210.06377	155.0
[M+NH4]+	205.10837	146.7
[M+K]+	226.03771	148.0
[M-H]-	186.06727	141.7
[M+Na-2H]-	208.04922	148.9
[M]+	187.07400	142.1
[M]-	187.07510	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe