CID 78457

O-benzyl-l-serine

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey

IDGQXGPQOGUGIX-VIFPVBQESA-N

Compound name

(2S)-2-amino-3-phenylmethoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 2556
Patents: 195.08954 Da
Monoisotopic Mass: -2.0
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]+	196.096816	142.6
[M+Na]+	218.078758	147.8
[M-H]-	194.082264	144.0
[M+NH4]+	213.123363	160.2
[M+K]+	234.052698	146.3
[M+H-H2O]+	178.086800	136.2
[M+HCOO]-	240.087741	164.5
[M+CH3COO]-	254.103391	182.9
[M+Na-2H]-	216.064206	146.4
[M]+	195.08899142	141.5
[M]-	195.09008858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe