CID 6951054

4378-10-3

Structural Information

Molecular Formula
C11H15NO3
SMILES
C[C@H]([C@@H](C(=O)O)N)OCC1=CC=CC=C1
InChI
InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1
InChIKey
ONOURAAVVKGJNM-SCZZXKLOSA-N
Compound name
(2S,3R)-2-amino-3-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

503
Patents

209.1052 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 147.1
[M+Na]+ 232.09442 156.1
[M+NH4]+ 227.13902 153.6
[M+K]+ 248.06836 152.4
[M-H]- 208.09792 147.5
[M+Na-2H]- 230.07987 151.3
[M]+ 209.10465 148.1
[M]- 209.10575 148.1
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