CID 10878392

257947-33-4

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)N)O
InChI
InChI=1S/C11H15NO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10,13H,2,12H2,1H3/t9-,10+/m0/s1
InChIKey
PIYPODQNLLWXJG-VHSXEESVSA-N
Compound name
ethyl (2R,3S)-3-amino-2-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

209.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.9
[M+Na]+ 232.09442 152.5
[M-H]- 208.09792 149.2
[M+NH4]+ 227.13902 165.0
[M+K]+ 248.06836 151.3
[M+H-H2O]+ 192.10246 141.5
[M+HCOO]- 254.10340 168.5
[M+CH3COO]- 268.11905 186.2
[M+Na-2H]- 230.07987 149.9
[M]+ 209.10465 146.4
[M]- 209.10575 146.4
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