CID 85608

Pyridine-2-carboxylic anhydride

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC=NC(=C1)C(=O)OC(=O)C2=CC=CC=N2
InChI
InChI=1S/C12H8N2O3/c15-11(9-5-1-3-7-13-9)17-12(16)10-6-2-4-8-14-10/h1-8H
InChIKey
QAZOKVGARKDTKF-UHFFFAOYSA-N
Compound name
pyridine-2-carbonyl pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

228.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.060776 147.6
[M+Na]+ 251.042718 155.0
[M-H]- 227.046224 151.6
[M+NH4]+ 246.087323 162.0
[M+K]+ 267.016658 152.6
[M+H-H2O]+ 211.050760 138.5
[M+HCOO]- 273.051701 169.0
[M+CH3COO]- 287.067351 186.3
[M+Na-2H]- 249.028166 154.6
[M]+ 228.05295142 148.3
[M]- 228.05404858 148.3
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