CID 139595993

Dtxsid001028758

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₅

SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-7(9(14)13-10(15)16)18-11(17)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,17)(H,13,14)(H,15,16)

InChIKey

LWARHALRCYEJSR-UHFFFAOYSA-N

Compound name

2-(phenylcarbamoyloxy)propanoylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 252.07462 Da
Monoisotopic Mass: 1.7
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]+	253.081896	154.4
[M+Na]+	275.063838	158.4
[M-H]-	251.067344	156.4
[M+NH4]+	270.108443	169.4
[M+K]+	291.037778	158.3
[M+H-H2O]+	235.071880	147.2
[M+HCOO]-	297.072821	176.5
[M+CH3COO]-	311.088471	193.8
[M+Na-2H]-	273.049286	156.8
[M]+	252.07407142	153.7
[M]-	252.07516858	153.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.