CID 196869

Methyl 2-iodoisonicotinate

Structural Information

Molecular Formula
C7H6INO2
SMILES
COC(=O)C1=CC(=NC=C1)I
InChI
InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChIKey
XXOKMYMXDALOEN-UHFFFAOYSA-N
Compound name
methyl 2-iodopyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

262.94434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.951616 137.0
[M+Na]+ 285.933558 138.9
[M-H]- 261.937064 132.7
[M+NH4]+ 280.978163 151.9
[M+K]+ 301.907498 143.8
[M+H-H2O]+ 245.941600 127.2
[M+HCOO]- 307.942541 155.3
[M+CH3COO]- 321.958191 184.1
[M+Na-2H]- 283.919006 131.9
[M]+ 262.94379142 136.0
[M]- 262.94488858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe