CID 34003

Mixidine

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

CN1CCCC1=NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H22N2O2/c1-17-10-4-5-15(17)16-9-8-12-6-7-13(18-2)14(11-12)19-3/h6-7,11H,4-5,8-10H2,1-3H3

InChIKey

WRJDCGFHAICFLO-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 996
Patents: 262.16812 Da
Monoisotopic Mass: 1.8
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]+	263.175396	161.8
[M+Na]+	285.157338	168.4
[M-H]-	261.160844	168.2
[M+NH4]+	280.201943	179.6
[M+K]+	301.131278	166.0
[M+H-H2O]+	245.165380	153.5
[M+HCOO]-	307.166321	185.6
[M+CH3COO]-	321.181971	201.7
[M+Na-2H]-	283.142786	163.6
[M]+	262.16757142	164.1
[M]-	262.16866858	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe