CID 1712490

4-(4-pyridin-n-oxide)pyridine-n-oxide

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CN(C=CC1=C2C=C[N+](=O)C=C2)[O-]

InChI

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

InChIKey

CEJJXIXKGPQQNG-UHFFFAOYSA-N

Compound name

4-(1-oxidopyridin-4-ylidene)pyridin-1-ium 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 82
Patents: 188.05858 Da
Monoisotopic Mass: -0.3
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]+	189.06586	139.2
[M+Na]+	211.04780	147.1
[M-H]-	187.05130	142.0
[M+NH4]+	206.09240	154.9
[M+K]+	227.02174	138.7
[M+H-H2O]+	171.05584	135.9
[M+HCOO]-	233.05678	159.2
[M+CH3COO]-	247.07243	170.0
[M+Na-2H]-	209.03325	147.5
[M]+	188.05803	133.3
[M]-	188.05913	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe