CID 4730695

3-(1h-imidazol-1-yl)pyridine dihydrochloride

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC(=CN=C1)N2C=CN=C2

InChI

InChI=1S/C8H7N3/c1-2-8(6-9-3-1)11-5-4-10-7-11/h1-7H

InChIKey

HBSOMQPAIFVKGZ-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 273
Patents: 145.064 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]+	146.07128	126.7
[M+Na]+	168.05322	136.0
[M-H]-	144.05672	129.6
[M+NH4]+	163.09782	145.5
[M+K]+	184.02716	133.4
[M+H-H2O]+	128.06126	118.0
[M+HCOO]-	190.06220	149.9
[M+CH3COO]-	204.07785	140.6
[M+Na-2H]-	166.03867	135.4
[M]+	145.06345	126.0
[M]-	145.06455	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe