CID 840694

3,4-diethoxyphenethylamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCOC1=C(C=C(C=C1)CCN)OCC

InChI

InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3

InChIKey

YOUNXJAJHCCMNK-UHFFFAOYSA-N

Compound name

2-(3,4-diethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 58
Patents: 209.14159 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]+	210.14887	148.0
[M+Na]+	232.13081	155.1
[M-H]-	208.13431	151.2
[M+NH4]+	227.17541	166.9
[M+K]+	248.10475	153.1
[M+H-H2O]+	192.13885	141.6
[M+HCOO]-	254.13979	172.5
[M+CH3COO]-	268.15544	190.9
[M+Na-2H]-	230.11626	152.4
[M]+	209.14104	150.9
[M]-	209.14214	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe