CID 2762504

188677-49-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
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

No literature data available for this compound.

Patent stripe

patents stripe