CID 3064222

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

Structural Information

Molecular Formula
C26H50N2
SMILES
CC1C[N+]2(CCC1CC2)CCCCCCCCCC[N+]34CCC(CC3)C(C4)C
InChI
InChI=1S/C26H50N2/c1-23-21-27(17-11-25(23)12-18-27)15-9-7-5-3-4-6-8-10-16-28-19-13-26(14-20-28)24(2)22-28/h23-26H,3-22H2,1-2H3/q+2
InChIKey
GDDKJDSFKWUMGT-UHFFFAOYSA-N
Compound name
3-methyl-1-[10-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.3974 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.404676 193.0
[M+Na]+ 413.386618 186.7
[M-H]- 389.390124 181.0
[M+NH4]+ 408.431223 210.5
[M+K]+ 429.360558 170.3
[M+H-H2O]+ 373.394660 183.3
[M+HCOO]- 435.395601 184.0
[M+CH3COO]- 449.411251 222.9
[M+Na-2H]- 411.372066 201.6
[M]+ 390.39685142 189.7
[M]- 390.39794858 189.7
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.