CID 58418007

1060805-13-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

230.95311 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.960386 135.7
[M+Na]+ 253.942328 148.1
[M-H]- 229.945834 140.1
[M+NH4]+ 248.986933 155.6
[M+K]+ 269.916268 138.0
[M+H-H2O]+ 213.950370 135.6
[M+HCOO]- 275.951311 155.6
[M+CH3COO]- 289.966961 184.1
[M+Na-2H]- 251.927776 143.1
[M]+ 230.95256142 155.8
[M]- 230.95365858 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