CID 248743

52864-48-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CC=NC(=C1)CCC2=CN=CC=C2

InChI

InChI=1S/C12H12N2/c1-2-9-14-12(5-1)7-6-11-4-3-8-13-10-11/h1-5,8-10H,6-7H2

InChIKey

FKRHNJKOAMFDOX-UHFFFAOYSA-N

Compound name

2-(2-pyridin-3-ylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 184.10005 Da
Monoisotopic Mass: 2.0
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]+	185.10733	139.4
[M+Na]+	207.08927	147.0
[M-H]-	183.09277	143.0
[M+NH4]+	202.13387	156.1
[M+K]+	223.06321	143.1
[M+H-H2O]+	167.09731	130.6
[M+HCOO]-	229.09825	161.8
[M+CH3COO]-	243.11390	152.1
[M+Na-2H]-	205.07472	148.9
[M]+	184.09950	138.7
[M]-	184.10060	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe