CID 203128

13973-71-2

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

C=CCNC(=O)OCC(C1COC2=CC=CC=C2O1)O

InChI

InChI=1S/C14H17NO5/c1-2-7-15-14(17)19-8-10(16)13-9-18-11-5-3-4-6-12(11)20-13/h2-6,10,13,16H,1,7-9H2,(H,15,17)

InChIKey

VCTNHPKSHQKNAO-UHFFFAOYSA-N

Compound name

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl] N-prop-2-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1107 Da
Monoisotopic Mass: 1.4
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]+	280.117976	163.3
[M+Na]+	302.099918	167.5
[M-H]-	278.103424	166.8
[M+NH4]+	297.144523	176.2
[M+K]+	318.073858	167.6
[M+H-H2O]+	262.107960	156.1
[M+HCOO]-	324.108901	180.2
[M+CH3COO]-	338.124551	197.9
[M+Na-2H]-	300.085366	168.7
[M]+	279.11015142	164.4
[M]-	279.11124858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.