CID 24729233

2,5-dimethoxy-4-ethylphenethylamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CCC1=CC(=C(C=C1OC)CCN)OC

InChI

InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3

InChIKey

VDRGNAMREYBIHA-UHFFFAOYSA-N

Compound name

2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 539
Patents: 209.14159 Da
Monoisotopic Mass: 2.4
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	147.5
[M+Na]+	232.13081	159.5
[M+NH4]+	227.17541	155.5
[M+K]+	248.10475	153.0
[M-H]-	208.13431	150.1
[M+Na-2H]-	230.11626	153.2
[M]+	209.14104	149.9
[M]-	209.14214	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe