CID 51886

73622-98-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CC(C(=O)O)OC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)

InChIKey

HYIHYWQSOXTJFS-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoyloxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 209
Patents: 209.0688 Da
Monoisotopic Mass: 1.5
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]+	210.07608	144.8
[M+Na]+	232.05802	153.9
[M+NH4]+	227.10262	150.7
[M+K]+	248.03196	150.7
[M-H]-	208.06152	144.7
[M+Na-2H]-	230.04347	149.2
[M]+	209.06825	145.6
[M]-	209.06935	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe