CID 76506

1795-96-6

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10H,2,8,12H2,1H3/t10-/m0/s1
InChIKey
CJGXMNONHNZEQQ-JTQLQIEISA-N
Compound name
ethyl (2S)-2-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

2984
Patents

193.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 144.2
[M+Na]+ 216.09950 149.6
[M-H]- 192.10300 147.0
[M+NH4]+ 211.14410 162.9
[M+K]+ 232.07344 148.2
[M+H-H2O]+ 176.10754 137.7
[M+HCOO]- 238.10848 167.2
[M+CH3COO]- 252.12413 185.7
[M+Na-2H]- 214.08495 148.0
[M]+ 193.10973 143.8
[M]- 193.11083 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe