CID 2756313

35761-26-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

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

InChI

InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1

InChIKey

FOXRXVSTFGNURG-VIFPVBQESA-N

Compound name

(2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 452
Patents: 238.09535 Da
Monoisotopic Mass: -2.2
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]+	239.10263	153.4
[M+Na]+	261.08457	160.6
[M+NH4]+	256.12917	158.4
[M+K]+	277.05851	157.8
[M-H]-	237.08807	153.1
[M+Na-2H]-	259.07002	156.6
[M]+	238.09480	153.7
[M]-	238.09590	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe