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

0
Patents

243.06622 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 152.0
[M+Na]+ 266.05544 162.2
[M+NH4]+ 261.10004 158.7
[M+K]+ 282.02938 157.9
[M-H]- 242.05894 152.5
[M+Na-2H]- 264.04089 156.1
[M]+ 243.06567 153.5
[M]- 243.06677 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.