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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 144.7
[M+Na]+ 235.04780 159.0
[M+NH4]+ 230.09240 152.0
[M+K]+ 251.02174 152.8
[M-H]- 211.05130 147.2
[M+Na-2H]- 233.03325 154.3
[M]+ 212.05803 147.3
[M]- 212.05913 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe