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

50
Patents

262.94434 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.95162 139.1
[M+Na]+ 285.93356 144.3
[M+NH4]+ 280.97816 142.6
[M+K]+ 301.90750 142.1
[M-H]- 261.93706 133.9
[M+Na-2H]- 283.91901 133.2
[M]+ 262.94379 137.2
[M]- 262.94489 137.2
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