CID 17952

2-(1,4-benzodioxan-5-yloxy)diethylamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCNCCOC1=CC=CC2=C1OCCO2

InChI

InChI=1S/C12H17NO3/c1-2-13-6-7-14-10-4-3-5-11-12(10)16-9-8-15-11/h3-5,13H,2,6-9H2,1H3

InChIKey

NVBOMFYGAUXYPE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 1.5
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]+	224.128126	148.9
[M+Na]+	246.110068	154.5
[M-H]-	222.113574	153.9
[M+NH4]+	241.154673	165.1
[M+K]+	262.084008	154.9
[M+H-H2O]+	206.118110	141.9
[M+HCOO]-	268.119051	169.2
[M+CH3COO]-	282.134701	190.8
[M+Na-2H]-	244.095516	158.1
[M]+	223.12030142	151.0
[M]-	223.12139858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.