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]+ 279.94652 141.8
[M+Na]+ 301.92846 143.9
[M-H]- 277.93196 136.5
[M+NH4]+ 296.97306 155.5
[M+K]+ 317.90240 148.5
[M+H-H2O]+ 261.93650 132.1
[M+HCOO]- 323.93744 158.7
[M+CH3COO]- 337.95309 185.3
[M+Na-2H]- 299.91391 135.3
[M]+ 278.93869 140.8
[M]- 278.93979 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