CID 200877

N-(2-(1,4-benzodioxan-5-yloxy)ethyl)propylamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO₃

SMILES

CCCNCCOC1=CC=CC2=C1OCCO2

InChI

InChI=1S/C13H19NO3/c1-2-6-14-7-8-15-11-4-3-5-12-13(11)17-10-9-16-12/h3-5,14H,2,6-10H2,1H3

InChIKey

YMRQGOKOXQIDQB-UHFFFAOYSA-N

Compound name

N-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 237.13649 Da
Monoisotopic Mass: 2.1
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]+	238.143766	153.6
[M+Na]+	260.125708	158.8
[M-H]-	236.129214	158.4
[M+NH4]+	255.170313	169.3
[M+K]+	276.099648	158.9
[M+H-H2O]+	220.133750	146.4
[M+HCOO]-	282.134691	173.6
[M+CH3COO]-	296.150341	193.8
[M+Na-2H]-	258.111156	162.2
[M]+	237.13594142	156.0
[M]-	237.13703858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe