CID 114091

Quinuclidinium, 1,1'-oxydimethylenedi-, diiodide

Structural Information

Molecular Formula
C16H30N2O
SMILES
C1C[N+]2(CCC1CC2)COC[N+]34CCC(CC3)CC4
InChI
InChI=1S/C16H30N2O/c1-7-17(8-2-15(1)3-9-17)13-19-14-18-10-4-16(5-11-18)6-12-18/h15-16H,1-14H2/q+2
InChIKey
YOFXLDRXPLZEJD-UHFFFAOYSA-N
Compound name
1-(1-azoniabicyclo[2.2.2]octan-1-ylmethoxymethyl)-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.2358 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.24308 150.1
[M+Na]+ 289.22502 146.6
[M-H]- 265.22852 140.0
[M+NH4]+ 284.26962 172.0
[M+K]+ 305.19896 132.7
[M+H-H2O]+ 249.23306 141.9
[M+HCOO]- 311.23400 145.2
[M+CH3COO]- 325.24965 197.1
[M+Na-2H]- 287.21047 165.7
[M]+ 266.23525 145.6
[M]- 266.23635 145.6
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.