CID 97182229

Schembl26665539

Structural Information

Molecular Formula

C₁₄H₁₀N₂

SMILES

C#CC1=C(C=CN=C1)/C=C/C2=CC=NC=C2

InChI

InChI=1S/C14H10N2/c1-2-13-11-16-10-7-14(13)4-3-12-5-8-15-9-6-12/h1,3-11H/b4-3+

InChIKey

JHZVYKSUIZTKPM-ONEGZZNKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.0844 Da
Monoisotopic Mass: 2.3
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]+	207.09168	147.3
[M+Na]+	229.07362	157.6
[M-H]-	205.07712	148.2
[M+NH4]+	224.11822	161.0
[M+K]+	245.04756	150.4
[M+H-H2O]+	189.08166	132.2
[M+HCOO]-	251.08260	163.1
[M+CH3COO]-	265.09825	157.5
[M+Na-2H]-	227.05907	153.1
[M]+	206.08385	140.4
[M]-	206.08495	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe