CID 31016

3,4,5-trimethoxyamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(CC1=CC(=C(C(=C1)OC)OC)OC)N

InChI

InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3

InChIKey

WGTASENVNYJZBK-UHFFFAOYSA-N

Compound name

1-(3,4,5-trimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 10278
Patents: 225.13649 Da
Monoisotopic Mass: 1.2
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]+	226.14377	150.9
[M+Na]+	248.12571	162.0
[M+NH4]+	243.17031	158.1
[M+K]+	264.09965	156.9
[M-H]-	224.12921	152.7
[M+Na-2H]-	246.11116	155.7
[M]+	225.13594	152.8
[M]-	225.13704	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe