CID 2826470

1859-51-4

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

C1=CC=C(C=C1)CNC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H15NO2/c17-15(18)14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)

InChIKey

LCRCODPYSHSWAR-UHFFFAOYSA-N

Compound name

2-(benzylamino)-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 241.11028 Da
Monoisotopic Mass: 0.3
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]+	242.117556	154.6
[M+Na]+	264.099498	159.1
[M-H]-	240.103004	159.4
[M+NH4]+	259.144103	170.3
[M+K]+	280.073438	155.5
[M+H-H2O]+	224.107540	147.0
[M+HCOO]-	286.108481	176.8
[M+CH3COO]-	300.124131	192.4
[M+Na-2H]-	262.084946	159.7
[M]+	241.10973142	152.3
[M]-	241.11082858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe