CID 22722025

1092286-33-3

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 137.5
[M+Na]+ 285.93356 139.7
[M-H]- 261.93706 132.2
[M+NH4]+ 280.97816 151.9
[M+K]+ 301.90750 143.8
[M+H-H2O]+ 245.94160 128.1
[M+HCOO]- 307.94254 154.3
[M+CH3COO]- 321.95819 183.3
[M+Na-2H]- 283.91901 131.2
[M]+ 262.94379 135.1
[M]- 262.94489 135.1
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