CID 77081

Pyridine-3,5-diol

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1O)O

InChI

InChI=1S/C5H5NO2/c7-4-1-5(8)3-6-2-4/h1-3,7-8H

InChIKey

DSNXVCDIWGFMOI-UHFFFAOYSA-N

Compound name

pyridine-3,5-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 144
Patents: 111.03203 Da
Monoisotopic Mass: 0.1
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]+	112.039306	117.2
[M+Na]+	134.021248	126.5
[M-H]-	110.024754	117.5
[M+NH4]+	129.065853	137.6
[M+K]+	149.995188	124.6
[M+H-H2O]+	94.029290	112.0
[M+HCOO]-	156.030231	139.3
[M+CH3COO]-	170.045881	161.7
[M+Na-2H]-	132.006696	126.0
[M]+	111.03148142	115.7
[M]-	111.03257858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe