CID 53840847

Cyclopentyl (2s)-2-amino-3-phenylpropanoate hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

C1CCC(C1)OC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C14H19NO2/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10,15H2/t13-/m0/s1

InChIKey

GIYPQZJJERZOKW-ZDUSSCGKSA-N

Compound name

cyclopentyl (2S)-2-amino-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 233.14159 Da
Monoisotopic Mass: 2.5
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]+	234.148866	155.9
[M+Na]+	256.130808	159.1
[M-H]-	232.134314	161.0
[M+NH4]+	251.175413	174.1
[M+K]+	272.104748	156.8
[M+H-H2O]+	216.138850	148.6
[M+HCOO]-	278.139791	177.1
[M+CH3COO]-	292.155441	191.1
[M+Na-2H]-	254.116256	156.3
[M]+	233.14104142	151.9
[M]-	233.14213858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe