CID 19749519

5-methyl-2-(p-tolylamino)benzoic acid

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C)C(=O)O

InChI

InChI=1S/C15H15NO2/c1-10-3-6-12(7-4-10)16-14-8-5-11(2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

InChIKey

JRRSLUSVHFALSP-UHFFFAOYSA-N

Compound name

5-methyl-2-(4-methylanilino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 241.11028 Da
Monoisotopic Mass: 5.1
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]+	242.117556	153.9
[M+Na]+	264.099498	161.5
[M-H]-	240.103004	159.9
[M+NH4]+	259.144103	170.6
[M+K]+	280.073438	157.5
[M+H-H2O]+	224.107540	146.8
[M+HCOO]-	286.108481	177.1
[M+CH3COO]-	300.124131	195.0
[M+Na-2H]-	262.084946	158.0
[M]+	241.10973142	153.5
[M]-	241.11082858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe