CID 85875

2,5-dimethoxy-4-methylamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

CC1=CC(=C(C=C1OC)CC(C)N)OC

InChI

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

InChIKey

NTJQREUGJKIARY-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 370
References: 927
Patents: 209.14159 Da
Monoisotopic Mass: 2.2
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	147.8
[M+Na]+	232.13081	159.5
[M+NH4]+	227.17541	155.7
[M+K]+	248.10475	153.8
[M-H]-	208.13431	150.2
[M+Na-2H]-	230.11626	153.1
[M]+	209.14104	150.0
[M]-	209.14214	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe