CID 20041704

4-(1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CN(N=C1)C2=CC=NC=C2

InChI

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

InChIKey

BVQQFKCDQYLYFN-UHFFFAOYSA-N

Compound name

4-pyrazol-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 145.064 Da
Monoisotopic Mass: 1.1
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	128.1
[M+Na]+	168.05322	142.5
[M+NH4]+	163.09782	136.9
[M+K]+	184.02716	137.3
[M-H]-	144.05672	130.8
[M+Na-2H]-	166.03867	138.2
[M]+	145.06345	130.9
[M]-	145.06455	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe