CID 420418

N,n-dimethylmescaline

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C13H21NO3/c1-14(2)7-6-10-8-11(15-3)13(17-5)12(9-10)16-4/h8-9H,6-7H2,1-5H3

InChIKey

BTSKBPJWJZFTPQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.15215 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]+	240.15943	154.5
[M+Na]+	262.14137	162.1
[M-H]-	238.14487	159.8
[M+NH4]+	257.18597	173.3
[M+K]+	278.11531	162.3
[M+H-H2O]+	222.14941	147.7
[M+HCOO]-	284.15035	179.9
[M+CH3COO]-	298.16600	201.3
[M+Na-2H]-	260.12682	158.0
[M]+	239.15160	161.9
[M]-	239.15270	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe