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]+	194.117556	144.7
[M+Na]+	216.099498	149.4
[M-H]-	192.103004	146.1
[M+NH4]+	211.144103	162.5
[M+K]+	232.073438	147.6
[M+H-H2O]+	176.107540	138.6
[M+HCOO]-	238.108481	165.1
[M+CH3COO]-	252.124131	184.8
[M+Na-2H]-	214.084946	146.7
[M]+	193.10973142	141.9
[M]-	193.11082858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe