CID 7060675

5-bromo-4-methylnicotinic acid

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

CC1=C(C=NC=C1C(=O)O)Br

InChI

InChI=1S/C7H6BrNO2/c1-4-5(7(10)11)2-9-3-6(4)8/h2-3H,1H3,(H,10,11)

InChIKey

RLENEIYXKWSGEX-UHFFFAOYSA-N

Compound name

5-bromo-4-methylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 214.95819 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.96547	134.8
[M+Na]+	237.94741	138.4
[M+NH4]+	232.99201	138.9
[M+K]+	253.92135	139.4
[M-H]-	213.95091	134.1
[M+Na-2H]-	235.93286	138.0
[M]+	214.95764	133.8
[M]-	214.95874	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe