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: 1
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]+	210.076076	142.1
[M+Na]+	232.058018	148.7
[M-H]-	208.061524	147.7
[M+NH4]+	227.102623	158.9
[M+K]+	248.031958	150.0
[M+H-H2O]+	192.066060	135.5
[M+HCOO]-	254.067001	162.6
[M+CH3COO]-	268.082651	185.8
[M+Na-2H]-	230.043466	151.3
[M]+	209.06825142	143.5
[M]-	209.06934858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe