CID 11378567

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

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC(=CN=C1)N2C=CC=N2

InChI

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

InChIKey

YJLYGWOUDNVDMM-UHFFFAOYSA-N

Compound name

3-pyrazol-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 406
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	126.7
[M+Na]+	168.053218	136.0
[M-H]-	144.056724	129.6
[M+NH4]+	163.097823	145.5
[M+K]+	184.027158	133.4
[M+H-H2O]+	128.061260	118.0
[M+HCOO]-	190.062201	149.9
[M+CH3COO]-	204.077851	140.6
[M+Na-2H]-	166.038666	135.4
[M]+	145.06345142	126.0
[M]-	145.06454858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe