CID 36463

33421-43-1

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=NC(=C1)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C10H8N2O/c13-12-8-4-2-6-10(12)9-5-1-3-7-11-9/h1-8H
InChIKey
KIKATWFLYDKKOL-UHFFFAOYSA-N
Compound name
1-oxido-2-pyridin-2-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

200
Patents

172.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.1
[M+Na]+ 195.05288 142.5
[M-H]- 171.05638 137.1
[M+NH4]+ 190.09748 150.4
[M+K]+ 211.02682 134.4
[M+H-H2O]+ 155.06092 130.7
[M+HCOO]- 217.06186 156.4
[M+CH3COO]- 231.07751 169.1
[M+Na-2H]- 193.03833 145.1
[M]+ 172.06311 130.8
[M]- 172.06421 130.8
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