CID 66204305

Ethyl 2-amino-3-(4-chlorophenyl)-3-hydroxypropanoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

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

InChI

InChI=1S/C11H14ClNO3/c1-2-16-11(15)9(13)10(14)7-3-5-8(12)6-4-7/h3-6,9-10,14H,2,13H2,1H3

InChIKey

JPICESXBDBFKHF-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-(4-chlorophenyl)-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.06622 Da
Monoisotopic Mass: 1.1
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]+	244.073496	152.3
[M+Na]+	266.055438	158.7
[M-H]-	242.058944	154.1
[M+NH4]+	261.100043	169.3
[M+K]+	282.029378	155.6
[M+H-H2O]+	226.063480	147.3
[M+HCOO]-	288.064421	168.6
[M+CH3COO]-	302.080071	191.2
[M+Na-2H]-	264.040886	153.4
[M]+	243.06567142	153.5
[M]-	243.06676858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe