CID 3025746

139262-66-1

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C1=CC=C(C=C1)C(COC(=O)N)C(=O)O

InChI

InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)

InChIKey

AYRIVCKWIAUVOO-UHFFFAOYSA-N

Compound name

3-carbamoyloxy-2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9
Patents: 209.0688 Da
Monoisotopic Mass: 0.8
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	153.6
[M+NH4]+	227.10262	150.6
[M+K]+	248.03196	150.6
[M-H]-	208.06152	144.5
[M+Na-2H]-	230.04347	148.7
[M]+	209.06825	145.4
[M]-	209.06935	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe