CID 209675

20110-42-3

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]+ 297.290056 162.6
[M+Na]+ 319.271998 168.7
[M-H]- 295.275504 167.2
[M+NH4]+ 314.316603 181.8
[M+K]+ 335.245938 157.3
[M+H-H2O]+ 279.280040 161.2
[M+HCOO]- 341.280981 174.4
[M+CH3COO]- 355.296631 193.5
[M+Na-2H]- 317.257446 172.1
[M]+ 296.28223142 158.7
[M]- 296.28332858 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.