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: 20
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]+	210.112476	144.1
[M+Na]+	232.094418	150.2
[M-H]-	208.097924	149.4
[M+NH4]+	227.139023	161.0
[M+K]+	248.068358	150.8
[M+H-H2O]+	192.102460	137.3
[M+HCOO]-	254.103401	164.8
[M+CH3COO]-	268.119051	187.8
[M+Na-2H]-	230.079866	153.9
[M]+	209.10465142	145.9
[M]-	209.10574858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe