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 135.7
[M+Na]+ 253.94233 148.1
[M-H]- 229.94583 140.1
[M+NH4]+ 248.98693 155.6
[M+K]+ 269.91627 138.0
[M+H-H2O]+ 213.95037 135.6
[M+HCOO]- 275.95131 155.6
[M+CH3COO]- 289.96696 184.1
[M+Na-2H]- 251.92778 143.1
[M]+ 230.95256 155.8
[M]- 230.95366 155.8
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