CID 114089

Quinuclidinium, 1,1'-oxydiethylenedi-, diiodide

Structural Information

Molecular Formula
C18H34N2O
SMILES
C1C[N+]2(CCC1CC2)CCOCC[N+]34CCC(CC3)CC4
InChI
InChI=1S/C18H34N2O/c1-7-19(8-2-17(1)3-9-19)13-15-21-16-14-20-10-4-18(5-11-20)6-12-20/h17-18H,1-16H2/q+2
InChIKey
ZZYSSOHJOKSGOV-UHFFFAOYSA-N
Compound name
1-[2-[2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.26712 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.27440 158.7
[M+Na]+ 317.25634 154.3
[M-H]- 293.25984 148.1
[M+NH4]+ 312.30094 179.5
[M+K]+ 333.23028 140.1
[M+H-H2O]+ 277.26438 150.2
[M+HCOO]- 339.26532 153.1
[M+CH3COO]- 353.28097 202.2
[M+Na-2H]- 315.24179 173.2
[M]+ 294.26657 154.7
[M]- 294.26767 154.7
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.