CID 31015

2,4,6-trimethoxyamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

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

InChI

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

InChIKey

DDGNOUVDFKXADP-UHFFFAOYSA-N

Compound name

1-(2,4,6-trimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 241
Patents: 225.13649 Da
Monoisotopic Mass: 1.6
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]+	226.143766	151.1
[M+Na]+	248.125708	158.7
[M-H]-	224.129214	154.7
[M+NH4]+	243.170313	169.5
[M+K]+	264.099648	157.9
[M+H-H2O]+	208.133750	144.7
[M+HCOO]-	270.134691	174.7
[M+CH3COO]-	284.150341	195.1
[M+Na-2H]-	246.111156	153.5
[M]+	225.13594142	155.2
[M]-	225.13703858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe