CID 355506

51012-67-0

Structural Information

Molecular Formula

C₁₂H₁₉NO₂

SMILES

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

InChI

InChI=1S/C12H19NO2/c1-13(2)8-7-10-5-6-11(14-3)12(9-10)15-4/h5-6,9H,7-8H2,1-4H3

InChIKey

UNASPKKHQRCVGR-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 209.14159 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]+	210.14887	147.4
[M+Na]+	232.13081	154.6
[M-H]-	208.13431	152.6
[M+NH4]+	227.17541	167.2
[M+K]+	248.10475	154.4
[M+H-H2O]+	192.13885	140.8
[M+HCOO]-	254.13979	173.0
[M+CH3COO]-	268.15544	195.1
[M+Na-2H]-	230.11626	152.1
[M]+	209.14104	152.6
[M]-	209.14214	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe