CID 12622276

73323-82-7

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CN(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H13NO2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17/h2-10H,1H3,(H,16,17)

InChIKey

RGHUOXSZSHFHAN-UHFFFAOYSA-N

Compound name

2-(N-methylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 227.09464 Da
Monoisotopic Mass: 3.3
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]+	228.10192	149.6
[M+Na]+	250.08386	155.8
[M-H]-	226.08736	156.4
[M+NH4]+	245.12846	166.9
[M+K]+	266.05780	153.4
[M+H-H2O]+	210.09190	142.0
[M+HCOO]-	272.09284	173.6
[M+CH3COO]-	286.10849	193.0
[M+Na-2H]-	248.06931	154.9
[M]+	227.09409	149.2
[M]-	227.09519	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe