CID 71721007

2-bromo-6-methoxynicotinic acid

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
COC1=NC(=C(C=C1)C(=O)O)Br
InChI
InChI=1S/C7H6BrNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
InChIKey
QAKXQUBZHUHURR-UHFFFAOYSA-N
Compound name
2-bromo-6-methoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

230.95311 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 138.2
[M+Na]+ 253.94233 141.3
[M+NH4]+ 248.98693 141.7
[M+K]+ 269.91627 142.8
[M-H]- 229.94583 137.0
[M+Na-2H]- 251.92778 140.9
[M]+ 230.95256 136.9
[M]- 230.95366 136.9
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