CID 26272

Stauffer r-11163

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CNC(=O)OC1=CC=CC2=C1OCCO2

InChI

InChI=1S/C10H11NO4/c1-11-10(12)15-8-4-2-3-7-9(8)14-6-5-13-7/h2-4H,5-6H2,1H3,(H,11,12)

InChIKey

XOVFOHFSGVFTPY-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-5-yl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 209.0688 Da
Monoisotopic Mass: 1.0
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	143.0
[M+Na]+	232.05802	154.6
[M+NH4]+	227.10262	150.9
[M+K]+	248.03196	150.1
[M-H]-	208.06152	147.7
[M+Na-2H]-	230.04347	147.4
[M]+	209.06825	145.8
[M]-	209.06935	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe