CID 14784670

Methyl 6-iodonicotinate

Structural Information

Molecular Formula

SMILES

COC(=O)C1=CN=C(C=C1)I

InChI

InChI=1S/C7H6INO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

InChIKey

CGFVEUUNDFAFHE-UHFFFAOYSA-N

Compound name

methyl 6-iodopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 262.94434 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe