CID 54510379

(s)-2-amino-3-(4-bromophenyl)propionicacidethylester

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)Br)N
InChI
InChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3/t10-/m0/s1
InChIKey
YIRKWTZNRFSZGH-JTQLQIEISA-N
Compound name
ethyl (2S)-2-amino-3-(4-bromophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

271.02078 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 151.7
[M+Na]+ 294.01000 153.2
[M+NH4]+ 289.05460 155.5
[M+K]+ 309.98394 154.0
[M-H]- 270.01350 151.9
[M+Na-2H]- 291.99545 153.9
[M]+ 271.02023 150.6
[M]- 271.02133 150.6
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

patents stripe