CID 3976080

Ethyl 2-amino-3-(2,5-dichlorophenyl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)N

InChI

InChI=1S/C11H13Cl2NO2/c1-2-16-11(15)10(14)6-7-5-8(12)3-4-9(7)13/h3-5,10H,2,6,14H2,1H3

InChIKey

PAVSIGPSDCRKLV-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-(2,5-dichlorophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03235 Da
Monoisotopic Mass: 2.8
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]+	262.039626	154.3
[M+Na]+	284.021568	162.9
[M-H]-	260.025074	157.1
[M+NH4]+	279.066173	172.2
[M+K]+	299.995508	158.0
[M+H-H2O]+	244.029610	150.2
[M+HCOO]-	306.030551	167.8
[M+CH3COO]-	320.046201	196.4
[M+Na-2H]-	282.007016	155.7
[M]+	261.03180142	158.1
[M]-	261.03289858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.