CID 68125

Nornicotyrine

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1=CC(=CN=C1)C2=CC=CN2

InChI

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

InChIKey

CBTWKRLUNDZXIF-UHFFFAOYSA-N

Compound name

3-(1H-pyrrol-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 210
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	127.3
[M+Na]+	167.05796	135.8
[M-H]-	143.06146	130.2
[M+NH4]+	162.10256	146.9
[M+K]+	183.03190	132.2
[M+H-H2O]+	127.06600	119.8
[M+HCOO]-	189.06694	150.1
[M+CH3COO]-	203.08259	140.9
[M+Na-2H]-	165.04341	135.2
[M]+	144.06819	124.6
[M]-	144.06929	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe