CID 17950

2906-66-3

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CNCCOC1=CC=CC2=C1OCCO2

InChI

InChI=1S/C11H15NO3/c1-12-5-6-13-9-3-2-4-10-11(9)15-8-7-14-10/h2-4,12H,5-8H2,1H3

InChIKey

USPFPXXTOOVKOL-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 209.1052 Da
Monoisotopic Mass: 1.2
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]+	210.11248	145.0
[M+Na]+	232.09442	157.2
[M+NH4]+	227.13902	153.7
[M+K]+	248.06836	151.1
[M-H]-	208.09792	150.6
[M+Na-2H]-	230.07987	150.1
[M]+	209.10465	148.3
[M]-	209.10575	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe