CID 18756370

5-ethyl-6-hydroxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CCC1=CC(=CNC1=O)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-2-5-3-6(8(11)12)4-9-7(5)10/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
InChIKey
JHZUBZXZJQMLQI-UHFFFAOYSA-N
Compound name
5-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.6
[M+Na]+ 190.047458 140.6
[M-H]- 166.050964 131.8
[M+NH4]+ 185.092063 149.7
[M+K]+ 206.021398 137.9
[M+H-H2O]+ 150.055500 125.9
[M+HCOO]- 212.056441 152.2
[M+CH3COO]- 226.072091 173.4
[M+Na-2H]- 188.032906 136.7
[M]+ 167.05769142 130.9
[M]- 167.05878858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe