CID 776222

13362-78-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

C1=CN=CC=C1/C=C/C2=CC=NC=C2

InChI

InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+

InChIKey

MGFJDEHFNMWYBD-OWOJBTEDSA-N

Compound name

4-[(E)-2-pyridin-4-ylethenyl]pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 1887
Patents: 182.0844 Da
Monoisotopic Mass: 2.1
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]+	183.091676	138.6
[M+Na]+	205.073618	146.6
[M-H]-	181.077124	142.3
[M+NH4]+	200.118223	155.4
[M+K]+	221.047558	142.1
[M+H-H2O]+	165.081660	129.9
[M+HCOO]-	227.082601	161.2
[M+CH3COO]-	241.098251	151.4
[M+Na-2H]-	203.059066	148.1
[M]+	182.08385142	137.2
[M]-	182.08494858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe