CID 116321

Dtxsid30982108

Structural Information

Molecular Formula

C₁₇H₃₆N₂O₂

SMILES

C[N+]1(CCOCC1)CCCCCCC[N+]2(CCOCC2)C

InChI

InChI=1S/C17H36N2O2/c1-18(10-14-20-15-11-18)8-6-4-3-5-7-9-19(2)12-16-21-17-13-19/h3-17H2,1-2H3/q+2

InChIKey

IUFWIRNIWMLGER-UHFFFAOYSA-N

Compound name

4-methyl-4-[7-(4-methylmorpholin-4-ium-4-yl)heptyl]morpholin-4-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 300.27768 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]+	301.284956	174.4
[M+Na]+	323.266898	174.9
[M-H]-	299.270404	177.1
[M+NH4]+	318.311503	186.8
[M+K]+	339.240838	164.1
[M+H-H2O]+	283.274940	170.5
[M+HCOO]-	345.275881	183.9
[M+CH3COO]-	359.291531	190.1
[M+Na-2H]-	321.252346	182.8
[M]+	300.27713142	168.2
[M]-	300.27822858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe