CID 3040177

3-(1h-imidazol-5-yl)pyridine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC(=CN=C1)C2=CN=CN2

InChI

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

InChIKey

YFOKBFRTGLSZLU-UHFFFAOYSA-N

Compound name

3-(1H-imidazol-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 551
Patents: 145.064 Da
Monoisotopic Mass: 0.7
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	127.3
[M+Na]+	168.05322	136.2
[M-H]-	144.05672	128.9
[M+NH4]+	163.09782	145.4
[M+K]+	184.02716	132.7
[M+H-H2O]+	128.06126	118.9
[M+HCOO]-	190.06220	149.0
[M+CH3COO]-	204.07785	140.5
[M+Na-2H]-	166.03867	135.6
[M]+	145.06345	124.8
[M]-	145.06455	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe