CID 2764465

2-hydroxy-5-iodo-nicotinic acid methyl ester

Structural Information

Molecular Formula
C7H6INO3
SMILES
COC(=O)C1=CC(=CNC1=O)I
InChI
InChI=1S/C7H6INO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChIKey
LGUKGFMYVHZDEB-UHFFFAOYSA-N
Compound name
methyl 5-iodo-2-oxo-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

278.93924 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.946516 140.5
[M+Na]+ 301.928458 142.9
[M-H]- 277.931964 135.3
[M+NH4]+ 296.973063 154.2
[M+K]+ 317.902398 146.9
[M+H-H2O]+ 261.936500 130.9
[M+HCOO]- 323.937441 157.6
[M+CH3COO]- 337.953091 183.9
[M+Na-2H]- 299.913906 134.1
[M]+ 278.93869142 138.7
[M]- 278.93978858 138.7
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