CID 66563654

1055970-47-2

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC1=C(C=CC=N1)C(=O)N2C=CN=C2

InChI

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

InChIKey

OWQPEDNXDCVXJO-UHFFFAOYSA-N

Compound name

imidazol-1-yl-(2-methylpyridin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 187.07455 Da
Monoisotopic Mass: 0.9
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	138.8
[M+Na]+	210.06377	148.1
[M-H]-	186.06727	142.0
[M+NH4]+	205.10837	156.1
[M+K]+	226.03771	145.4
[M+H-H2O]+	170.07181	130.0
[M+HCOO]-	232.07275	160.8
[M+CH3COO]-	246.08840	180.6
[M+Na-2H]-	208.04922	144.4
[M]+	187.07400	139.2
[M]-	187.07510	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe