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

68
Patents

278.93924 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.94652 140.5
[M+Na]+ 301.92846 142.9
[M-H]- 277.93196 135.3
[M+NH4]+ 296.97306 154.2
[M+K]+ 317.90240 146.9
[M+H-H2O]+ 261.93650 130.9
[M+HCOO]- 323.93744 157.6
[M+CH3COO]- 337.95309 183.9
[M+Na-2H]- 299.91391 134.1
[M]+ 278.93869 138.7
[M]- 278.93979 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