CID 13401

3-hydroxypicolinic acid

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

100
References

5885
Patents

139.02695 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03423 123.7
[M+Na]+ 162.01617 132.5
[M-H]- 138.01967 124.0
[M+NH4]+ 157.06077 142.7
[M+K]+ 177.99011 130.8
[M+H-H2O]+ 122.02421 118.2
[M+HCOO]- 184.02515 144.9
[M+CH3COO]- 198.04080 166.9
[M+Na-2H]- 160.00162 130.7
[M]+ 139.02640 122.7
[M]- 139.02750 122.7
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