CID 260384

Ethanedione, di-3-pyridinyl-

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

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

InChI

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

InChIKey

WKQMLIVNOYGANQ-UHFFFAOYSA-N

Compound name

1,2-dipyridin-3-ylethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 73
Patents: 212.05858 Da
Monoisotopic Mass: 0.8
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	144.0
[M+Na]+	235.04780	151.4
[M-H]-	211.05130	147.9
[M+NH4]+	230.09240	159.1
[M+K]+	251.02174	148.4
[M+H-H2O]+	195.05584	135.1
[M+HCOO]-	257.05678	165.2
[M+CH3COO]-	271.07243	185.5
[M+Na-2H]-	233.03325	151.0
[M]+	212.05803	143.5
[M]-	212.05913	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe