CID 13635390

19525-87-2

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

COC(=O)[C@H](COCC1=CC=CC=C1)N

InChI

InChI=1S/C11H15NO3/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1

InChIKey

PCLKHOKTUJSLDD-JTQLQIEISA-N

Compound name

methyl (2S)-2-amino-3-phenylmethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 209.1052 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.11248	146.8
[M+Na]+	232.09442	156.7
[M+NH4]+	227.13902	153.7
[M+K]+	248.06836	151.9
[M-H]-	208.09792	147.9
[M+Na-2H]-	230.07987	152.0
[M]+	209.10465	148.2
[M]-	209.10575	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe