CID 10999161

63974-15-2

Structural Information

Molecular Formula

C₁₅H₁₅NO₂

SMILES

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

InChI

InChI=1S/C15H15NO2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10,16H2,(H,17,18)

InChIKey

BJZGTTDEOZUSRH-UHFFFAOYSA-N

Compound name

3-amino-3-(4-phenylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 241.11028 Da
Monoisotopic Mass: 0.2
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]+	242.11756	155.2
[M+Na]+	264.09950	160.6
[M-H]-	240.10300	159.9
[M+NH4]+	259.14410	170.9
[M+K]+	280.07344	156.7
[M+H-H2O]+	224.10754	147.8
[M+HCOO]-	286.10848	176.7
[M+CH3COO]-	300.12413	192.9
[M+Na-2H]-	262.08495	158.4
[M]+	241.10973	152.3
[M]-	241.11083	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe