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: 61
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]+	145.076016	126.8
[M+Na]+	167.057958	135.6
[M-H]-	143.061464	131.0
[M+NH4]+	162.102563	147.0
[M+K]+	183.031898	133.0
[M+H-H2O]+	127.066000	118.9
[M+HCOO]-	189.066941	151.1
[M+CH3COO]-	203.082591	141.1
[M+Na-2H]-	165.043406	135.1
[M]+	144.06819142	125.9
[M]-	144.06928858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe