CID 48189

Ethyl(4-amino-2-phenyl)butyrate hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCOC(=O)C(CCN)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-2-15-12(14)11(8-9-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9,13H2,1H3

InChIKey

CHVSRARUXPWWGH-UHFFFAOYSA-N

Compound name

ethyl 4-amino-2-phenylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.12593 Da
Monoisotopic Mass: 1.5
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]+	208.13321	148.8
[M+Na]+	230.11515	153.9
[M-H]-	206.11865	151.4
[M+NH4]+	225.15975	167.0
[M+K]+	246.08909	152.2
[M+H-H2O]+	190.12319	142.2
[M+HCOO]-	252.12413	171.5
[M+CH3COO]-	266.13978	188.8
[M+Na-2H]-	228.10060	152.1
[M]+	207.12538	148.9
[M]-	207.12648	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe