CID 31014

2,4,5-trimethoxyamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

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

InChI

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

InChIKey

TVSIMAWGATVNGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 452
Patents: 225.13649 Da
Monoisotopic Mass: 1.7
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	151.1
[M+Na]+	248.12571	158.7
[M-H]-	224.12921	154.7
[M+NH4]+	243.17031	169.5
[M+K]+	264.09965	157.9
[M+H-H2O]+	208.13375	144.7
[M+HCOO]-	270.13469	174.7
[M+CH3COO]-	284.15034	195.1
[M+Na-2H]-	246.11116	153.5
[M]+	225.13594	155.2
[M]-	225.13704	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe