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]+ 309.95708 150.1
[M+Na]+ 331.93902 152.4
[M-H]- 307.94252 143.7
[M+NH4]+ 326.98362 162.1
[M+K]+ 347.91296 155.9
[M+H-H2O]+ 291.94706 140.5
[M+HCOO]- 353.94800 165.5
[M+CH3COO]- 367.96365 187.7
[M+Na-2H]- 329.92447 141.8
[M]+ 308.94925 148.6
[M]- 308.95035 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.