CID 12181320

6221-04-1

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1C=O)C=O

InChI

InChI=1S/C7H5NO2/c9-4-6-1-7(5-10)3-8-2-6/h1-5H

InChIKey

KFISEQOLPGMMBB-UHFFFAOYSA-N

Compound name

pyridine-3,5-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 135.03203 Da
Monoisotopic Mass: -0.2
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]+	136.03931	122.0
[M+Na]+	158.02125	131.8
[M-H]-	134.02475	124.9
[M+NH4]+	153.06585	142.7
[M+K]+	173.99519	130.2
[M+H-H2O]+	118.02929	116.0
[M+HCOO]-	180.03023	146.9
[M+CH3COO]-	194.04588	171.3
[M+Na-2H]-	156.00670	130.8
[M]+	135.03148	123.6
[M]-	135.03258	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe