CID 13718

Prosympal

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCN(CC)CC1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3

InChIKey

BGWGNDUTMDMIKZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 221.14159 Da
Monoisotopic Mass: 2.5
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]+	222.14887	150.8
[M+Na]+	244.13081	163.3
[M+NH4]+	239.17541	160.0
[M+K]+	260.10475	156.7
[M-H]-	220.13431	157.2
[M+Na-2H]-	242.11626	156.1
[M]+	221.14104	154.4
[M]-	221.14214	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe