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

89
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 137.0
[M+Na]+ 285.93356 138.9
[M-H]- 261.93706 132.7
[M+NH4]+ 280.97816 151.9
[M+K]+ 301.90750 143.8
[M+H-H2O]+ 245.94160 127.2
[M+HCOO]- 307.94254 155.3
[M+CH3COO]- 321.95819 184.1
[M+Na-2H]- 283.91901 131.9
[M]+ 262.94379 136.0
[M]- 262.94489 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

No literature data available for this compound.

Patent stripe

patents stripe