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]+ 391.40468 193.0
[M+Na]+ 413.38662 186.7
[M-H]- 389.39012 181.0
[M+NH4]+ 408.43122 210.5
[M+K]+ 429.36056 170.3
[M+H-H2O]+ 373.39466 183.3
[M+HCOO]- 435.39560 184.0
[M+CH3COO]- 449.41125 222.9
[M+Na-2H]- 411.37207 201.6
[M]+ 390.39685 189.7
[M]- 390.39795 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.