CID 3063245

Quinuclidinium, 1,1'-tetramethylenebis(3-methyl-, diiodide

Structural Information

Molecular Formula
C20H38N2
SMILES
CC1C[N+]2(CCC1CC2)CCCC[N+]34CCC(CC3)C(C4)C
InChI
InChI=1S/C20H38N2/c1-17-15-21(11-5-19(17)6-12-21)9-3-4-10-22-13-7-20(8-14-22)18(2)16-22/h17-20H,3-16H2,1-2H3/q+2
InChIKey
CKIFDNPTJYROEH-UHFFFAOYSA-N
Compound name
3-methyl-1-[4-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 179.6
[M+Na]+ 329.29272 191.1
[M+NH4]+ 324.33732 196.0
[M+K]+ 345.26666 178.7
[M-H]- 305.29622 179.8
[M+Na-2H]- 327.27817 174.8
[M]+ 306.30295 182.3
[M]- 306.30405 182.3
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.