CID 135439676

16879-57-5

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

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

InChI

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

InChIKey

XCFHAJVBGFMEBM-UHFFFAOYSA-N

Compound name

4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 187.07455 Da
Monoisotopic Mass: 0.2
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	139.1
[M+Na]+	210.06377	149.3
[M-H]-	186.06727	141.1
[M+NH4]+	205.10837	154.2
[M+K]+	226.03771	144.6
[M+H-H2O]+	170.07181	130.4
[M+HCOO]-	232.07275	159.7
[M+CH3COO]-	246.08840	151.8
[M+Na-2H]-	208.04922	147.5
[M]+	187.07400	137.9
[M]-	187.07510	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe