CID 209675

4-(2-(1,1,2,2,6,6-hexamethyl-1,2,3,6-tetrahydropyridinium-4-yl)ethyl) morpholinium diiodide

Structural Information

Molecular Formula
C18H36N2O
SMILES
CC1(CC(=CC([N+]1(C)C)(C)C)CC[N+]2(CCOCC2)C)C
InChI
InChI=1S/C18H36N2O/c1-17(2)14-16(15-18(3,4)19(17,5)6)8-9-20(7)10-12-21-13-11-20/h14H,8-13,15H2,1-7H3/q+2
InChIKey
XUZUAZHWIQQCJQ-UHFFFAOYSA-N
Compound name
4-[2-(1,1,2,2,6,6-hexamethyl-3H-pyridin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.28278 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.29006 168.4
[M+Na]+ 319.27200 183.8
[M+NH4]+ 314.31660 183.8
[M+K]+ 335.24594 170.9
[M-H]- 295.27550 176.3
[M+Na-2H]- 317.25745 180.4
[M]+ 296.28223 174.4
[M]- 296.28333 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.