CID 77081

Pyridine-3,5-diol

Structural Information

Molecular Formula
C5H5NO2
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
1
Annotation Hits

0
References

144
Patents

111.03203 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 117.2
[M+Na]+ 134.02125 126.5
[M-H]- 110.02475 117.5
[M+NH4]+ 129.06585 137.6
[M+K]+ 149.99519 124.6
[M+H-H2O]+ 94.029290 112.0
[M+HCOO]- 156.03023 139.3
[M+CH3COO]- 170.04588 161.7
[M+Na-2H]- 132.00670 126.0
[M]+ 111.03148 115.7
[M]- 111.03258 115.7
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