CID 459503

3-hydroxyisonicotinic acid

Structural Information

Molecular Formula
C6H5NO3
SMILES
C1=CN=CC(=C1C(=O)O)O
InChI
InChI=1S/C6H5NO3/c8-5-3-7-2-1-4(5)6(9)10/h1-3,8H,(H,9,10)
InChIKey
JEHGATQUCUYHJL-UHFFFAOYSA-N
Compound name
3-hydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

380
Patents

139.02695 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 124.8
[M+Na]+ 162.01617 136.7
[M+NH4]+ 157.06077 131.9
[M+K]+ 177.99011 132.7
[M-H]- 138.01967 124.5
[M+Na-2H]- 160.00162 130.6
[M]+ 139.02640 126.1
[M]- 139.02750 126.1
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