CID 138365

N-methylmescaline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CNCCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3

InChIKey

OTXANOLOOUNVSR-UHFFFAOYSA-N

Compound name

N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 38
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	150.0
[M+Na]+	248.12571	157.9
[M-H]-	224.12921	154.1
[M+NH4]+	243.17031	168.7
[M+K]+	264.09965	156.9
[M+H-H2O]+	208.13375	143.5
[M+HCOO]-	270.13469	175.3
[M+CH3COO]-	284.15034	194.8
[M+Na-2H]-	246.11116	154.9
[M]+	225.13594	155.8
[M]-	225.13704	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe