CID 15547968

135822-72-9

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

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

InChI

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

InChIKey

SUQGULAGAKSTIB-UHFFFAOYSA-N

Compound name

6-(5-formylpyridin-2-yl)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 180
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	143.9
[M+Na]+	235.04780	153.8
[M-H]-	211.05130	148.4
[M+NH4]+	230.09240	159.8
[M+K]+	251.02174	149.8
[M+H-H2O]+	195.05584	135.2
[M+HCOO]-	257.05678	167.1
[M+CH3COO]-	271.07243	186.1
[M+Na-2H]-	233.03325	151.8
[M]+	212.05803	145.5
[M]-	212.05913	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe