CID 4171663

99970-84-0

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

C1=CN=C(C=C1C=O)C2=NC=CC(=C2)C=O

InChI

InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H

InChIKey

UJCACAOPZBJKIW-UHFFFAOYSA-N

Compound name

2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 212.05858 Da
Monoisotopic Mass: 0.4
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]+	213.06586	145.1
[M+Na]+	235.04780	160.9
[M+NH4]+	230.09240	152.7
[M+K]+	251.02174	153.4
[M-H]-	211.05130	148.2
[M+Na-2H]-	233.03325	154.9
[M]+	212.05803	148.2
[M]-	212.05913	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe