CID 71300241

5-iodo-2-methoxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H6INO3
SMILES
COC1=C(C=C(C=N1)I)C(=O)O
InChI
InChI=1S/C7H6INO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
JQXYEJBNCOTMQU-UHFFFAOYSA-N
Compound name
5-iodo-2-methoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.93924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.946516 141.8
[M+Na]+ 301.928458 143.9
[M-H]- 277.931964 136.5
[M+NH4]+ 296.973063 155.5
[M+K]+ 317.902398 148.5
[M+H-H2O]+ 261.936500 132.1
[M+HCOO]- 323.937441 158.7
[M+CH3COO]- 337.953091 185.3
[M+Na-2H]- 299.913906 135.3
[M]+ 278.93869142 140.8
[M]- 278.93978858 140.8
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