CID 66545198

Ethyl 4,6-dihydroxy-5-iodopyridine-3-carboxylate

Structural Information

Molecular Formula
C8H8INO4
SMILES
CCOC(=O)C1=CNC(=O)C(=C1O)I
InChI
InChI=1S/C8H8INO4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2H2,1H3,(H2,10,11,12)
InChIKey
NAEVKPUTXWCATO-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-5-iodo-6-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.9498 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.957076 150.1
[M+Na]+ 331.939018 152.4
[M-H]- 307.942524 143.7
[M+NH4]+ 326.983623 162.1
[M+K]+ 347.912958 155.9
[M+H-H2O]+ 291.947060 140.5
[M+HCOO]- 353.948001 165.5
[M+CH3COO]- 367.963651 187.7
[M+Na-2H]- 329.924466 141.8
[M]+ 308.94925142 148.6
[M]- 308.95034858 148.6
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

No patent data available for this compound.