CID 86079719

Dfc-cooh

Structural Information

Molecular Formula

C₁₄H₁₉NO₆

SMILES

CCOC1=C(C=C(C=C1)NC(=O)OC(C)C(=O)O)OCC

InChI

InChI=1S/C14H19NO6/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-14(18)21-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

SWDQABPWMBOGES-UHFFFAOYSA-N

Compound name

2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 297.12125 Da
Monoisotopic Mass: 2.1
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]+	298.128526	166.4
[M+Na]+	320.110468	171.5
[M-H]-	296.113974	168.4
[M+NH4]+	315.155073	180.5
[M+K]+	336.084408	171.4
[M+H-H2O]+	280.118510	159.2
[M+HCOO]-	342.119451	187.4
[M+CH3COO]-	356.135101	203.4
[M+Na-2H]-	318.095916	166.9
[M]+	297.12070142	171.4
[M]-	297.12179858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.