CID 68432786

3-bromo-5-(dimethylamino)benzoic acid

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

CN(C)C1=CC(=CC(=C1)C(=O)O)Br

InChI

InChI=1S/C9H10BrNO2/c1-11(2)8-4-6(9(12)13)3-7(10)5-8/h3-5H,1-2H3,(H,12,13)

InChIKey

CQWRDFKYJBVVQN-UHFFFAOYSA-N

Compound name

3-bromo-5-(dimethylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 242.98949 Da
Monoisotopic Mass: 2.3
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]+	243.99677	141.7
[M+Na]+	265.97871	144.2
[M+NH4]+	261.02331	146.0
[M+K]+	281.95265	145.4
[M-H]-	241.98221	142.2
[M+Na-2H]-	263.96416	144.8
[M]+	242.98894	140.9
[M]-	242.99004	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe