CID 9877962

3-[(2-phenylethyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

C1=CC=C(C=C1)CCNCCC(=O)O

InChI

InChI=1S/C11H15NO2/c13-11(14)7-9-12-8-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,13,14)

InChIKey

DYJFVIXCJFSAFC-UHFFFAOYSA-N

Compound name

3-(2-phenylethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 526
Patents: 193.11028 Da
Monoisotopic Mass: -1.0
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	143.2
[M+Na]+	216.099498	148.4
[M-H]-	192.103004	144.9
[M+NH4]+	211.144103	161.4
[M+K]+	232.073438	145.9
[M+H-H2O]+	176.107540	136.8
[M+HCOO]-	238.108481	166.3
[M+CH3COO]-	252.124131	183.6
[M+Na-2H]-	214.084946	148.9
[M]+	193.10973142	142.7
[M]-	193.11082858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe