CID 11790456

123639-56-5

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

COC(=O)[C@H](CO)NCC1=CC=CC=C1

InChI

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

InChIKey

GMZGWPPEZCREPP-JTQLQIEISA-N

Compound name

methyl (2S)-2-(benzylamino)-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 209.1052 Da
Monoisotopic Mass: 1.6
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	147.1
[M+Na]+	232.09442	156.8
[M+NH4]+	227.13902	153.9
[M+K]+	248.06836	152.0
[M-H]-	208.09792	147.9
[M+Na-2H]-	230.07987	152.2
[M]+	209.10465	148.4
[M]-	209.10575	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe