CID 559375

3,4-methylenedioxy-n-propylamphetamine

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCCNC(C)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H19NO2/c1-3-6-14-10(2)7-11-4-5-12-13(8-11)16-9-15-12/h4-5,8,10,14H,3,6-7,9H2,1-2H3

InChIKey

LBXMQBTXOLBCCA-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-propylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 412
Patents: 221.14159 Da
Monoisotopic Mass: 3.0
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	151.3
[M+Na]+	244.13081	162.1
[M+NH4]+	239.17541	159.9
[M+K]+	260.10475	158.0
[M-H]-	220.13431	156.3
[M+Na-2H]-	242.11626	154.9
[M]+	221.14104	154.2
[M]-	221.14214	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe