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]+ 293.295116 163.0
[M+Na]+ 315.277058 159.9
[M-H]- 291.280564 152.8
[M+NH4]+ 310.321663 184.5
[M+K]+ 331.250998 144.8
[M+H-H2O]+ 275.285100 154.7
[M+HCOO]- 337.286041 156.7
[M+CH3COO]- 351.301691 204.9
[M+Na-2H]- 313.262506 175.4
[M]+ 292.28729142 158.3
[M]- 292.28838858 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.