CID 12299152

3,3'-bipyridine, 1,1'-dioxide

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC(=C[N+](=C1)[O-])C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C10H8N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

InChIKey

SEQNYJKJVRTETG-UHFFFAOYSA-N

Compound name

1-oxido-3-(1-oxidopyridin-1-ium-3-yl)pyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 188.05858 Da
Monoisotopic Mass: -0.6
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]+	189.065856	141.5
[M+Na]+	211.047798	149.6
[M-H]-	187.051304	143.6
[M+NH4]+	206.092403	155.9
[M+K]+	227.021738	136.8
[M+H-H2O]+	171.055840	142.8
[M+HCOO]-	233.056781	162.3
[M+CH3COO]-	247.072431	164.9
[M+Na-2H]-	209.033246	152.6
[M]+	188.05803142	136.2
[M]-	188.05912858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe