CID 85607

Nicotinic anhydride

Structural Information

Molecular Formula

C₁₂H₈N₂O₃

SMILES

C1=CC(=CN=C1)C(=O)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H8N2O3/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10/h1-8H

InChIKey

VPODXHOUBDCEHN-UHFFFAOYSA-N

Compound name

pyridine-3-carbonyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 353
Patents: 228.0535 Da
Monoisotopic Mass: 1.1
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]+	229.06078	148.0
[M+Na]+	251.04272	161.9
[M+NH4]+	246.08732	154.8
[M+K]+	267.01666	156.2
[M-H]-	227.04622	150.1
[M+Na-2H]-	249.02817	157.2
[M]+	228.05295	150.4
[M]-	228.05405	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe