CID 78630

1,2-bis(4-pyridyl)ethane

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1=CN=CC=C1CCC2=CC=NC=C2

InChI

InChI=1S/C12H12N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-10H,1-2H2

InChIKey

DQRKTVIJNCVZAX-UHFFFAOYSA-N

Compound name

4-(2-pyridin-4-ylethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 91
References: 4067
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	140.5
[M+Na]+	207.08927	156.5
[M+NH4]+	202.13387	149.9
[M+K]+	223.06321	147.6
[M-H]-	183.09277	145.0
[M+Na-2H]-	205.07472	152.0
[M]+	184.09950	144.2
[M]-	184.10060	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe