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: 2552
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]+	196.09682	142.6
[M+Na]+	218.07876	152.1
[M+NH4]+	213.12336	149.4
[M+K]+	234.05270	147.9
[M-H]-	194.08226	143.3
[M+Na-2H]-	216.06421	147.4
[M]+	195.08899	143.7
[M]-	195.09009	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe