CID 43358

60561-70-8

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

CC1=CC=CC=C1NC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H15NO2/c1-11-7-5-6-10-13(11)16-14(15(17)18)12-8-3-2-4-9-12/h2-10,14,16H,1H3,(H,17,18)

InChIKey

HWJGUBMEOAQIMJ-UHFFFAOYSA-N

Compound name

2-(2-methylanilino)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 241.11028 Da
Monoisotopic Mass: 3.6
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	154.5
[M+Na]+	264.099498	159.9
[M-H]-	240.103004	159.7
[M+NH4]+	259.144103	170.5
[M+K]+	280.073438	156.4
[M+H-H2O]+	224.107540	147.0
[M+HCOO]-	286.108481	176.7
[M+CH3COO]-	300.124131	193.5
[M+Na-2H]-	262.084946	158.8
[M]+	241.10973142	152.6
[M]-	241.11082858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe