CID 3405173

2-amino-4-phenylpentanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-8(7-10(12)11(13)14)9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)

InChIKey

ZZHGQIHRAUVHOE-UHFFFAOYSA-N

Compound name

2-amino-4-phenylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 193.11028 Da
Monoisotopic Mass: -0.7
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]+	194.11756	144.3
[M+Na]+	216.09950	153.7
[M+NH4]+	211.14410	151.3
[M+K]+	232.07344	149.5
[M-H]-	192.10300	145.2
[M+Na-2H]-	214.08495	148.9
[M]+	193.10973	145.5
[M]-	193.11083	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe