CID 22722025

5-iodo-2-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6INO2
SMILES
CC1=C(C=C(C=N1)I)C(=O)O
InChI
InChI=1S/C7H6INO2/c1-4-6(7(10)11)2-5(8)3-9-4/h2-3H,1H3,(H,10,11)
InChIKey
JGYRUHKDHNZTPA-UHFFFAOYSA-N
Compound name
5-iodo-2-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 140.1
[M+Na]+ 285.93356 145.1
[M+NH4]+ 280.97816 143.2
[M+K]+ 301.90750 143.3
[M-H]- 261.93706 134.4
[M+Na-2H]- 283.91901 133.3
[M]+ 262.94379 138.0
[M]- 262.94489 138.0
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