CID 736556

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

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CN(C=C1)C2=CN=CC=C2

InChI

InChI=1S/C9H8N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-8H

InChIKey

SPFWVEKHAJYTGG-UHFFFAOYSA-N

Compound name

3-pyrrol-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 144.06874 Da
Monoisotopic Mass: 1.3
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]+	145.07602	128.5
[M+Na]+	167.05796	143.0
[M+NH4]+	162.10256	138.0
[M+K]+	183.03190	137.2
[M-H]-	143.06146	132.1
[M+Na-2H]-	165.04341	138.8
[M]+	144.06819	131.6
[M]-	144.06929	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe