CID 7971

3-hydroxypyridine

Structural Information

Molecular Formula
C5H5NO
SMILES
C1=CC(=CN=C1)O
InChI
InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKey
GRFNBEZIAWKNCO-UHFFFAOYSA-N
Compound name
pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

293
References

31885
Patents

95.03712 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 113.5
[M+Na]+ 118.02634 122.3
[M-H]- 94.029844 114.9
[M+NH4]+ 113.07094 135.0
[M+K]+ 134.00028 121.0
[M+H-H2O]+ 78.034380 108.1
[M+HCOO]- 140.03532 136.9
[M+CH3COO]- 154.05097 161.2
[M+Na-2H]- 116.01179 123.7
[M]+ 95.036571 112.1
[M]- 95.037669 112.1
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