CID 3062807

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

Structural Information

Molecular Formula
C19H36N2
SMILES
CC1C[N+]2(CCC1CC2)CCC[N+]34CCC(CC3)C(C4)C
InChI
InChI=1S/C19H36N2/c1-16-14-20(10-4-18(16)5-11-20)8-3-9-21-12-6-19(7-13-21)17(2)15-21/h16-19H,3-15H2,1-2H3/q+2
InChIKey
TZEPEZHEOJIIKD-UHFFFAOYSA-N
Compound name
3-methyl-1-[3-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.28784 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 163.0
[M+Na]+ 315.27706 159.9
[M-H]- 291.28056 152.8
[M+NH4]+ 310.32166 184.5
[M+K]+ 331.25100 144.8
[M+H-H2O]+ 275.28510 154.7
[M+HCOO]- 337.28604 156.7
[M+CH3COO]- 351.30169 204.9
[M+Na-2H]- 313.26251 175.4
[M]+ 292.28729 158.3
[M]- 292.28839 158.3
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.