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 162.6
[M+Na]+ 319.27200 168.7
[M-H]- 295.27550 167.2
[M+NH4]+ 314.31660 181.8
[M+K]+ 335.24594 157.3
[M+H-H2O]+ 279.28004 161.2
[M+HCOO]- 341.28098 174.4
[M+CH3COO]- 355.29663 193.5
[M+Na-2H]- 317.25745 172.1
[M]+ 296.28223 158.7
[M]- 296.28333 158.7
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.