CID 7074967

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

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC(=CN=C1)C2=CC=NN2

InChI

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

InChIKey

JJLMOUMOJSUSSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 724
Patents: 145.064 Da
Monoisotopic Mass: 0.8
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]+	146.071276	127.3
[M+Na]+	168.053218	136.2
[M-H]-	144.056724	128.9
[M+NH4]+	163.097823	145.4
[M+K]+	184.027158	132.7
[M+H-H2O]+	128.061260	118.9
[M+HCOO]-	190.062201	149.0
[M+CH3COO]-	204.077851	140.5
[M+Na-2H]-	166.038666	135.6
[M]+	145.06345142	124.8
[M]-	145.06454858	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe