CID 3064269

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

Structural Information

Molecular Formula
C25H48N2
SMILES
CC1C[N+]2(CCC1CC2)CCCCCCCCC[N+]34CCC(CC3)C(C4)C
InChI
InChI=1S/C25H48N2/c1-22-20-26(16-10-24(22)11-17-26)14-8-6-4-3-5-7-9-15-27-18-12-25(13-19-27)23(2)21-27/h22-25H,3-21H2,1-2H3/q+2
InChIKey
QQGROGLNJARCAO-UHFFFAOYSA-N
Compound name
3-methyl-1-[9-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)nonyl]-1-azoniabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.38174 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.38902 188.8
[M+Na]+ 399.37096 182.9
[M-H]- 375.37446 177.1
[M+NH4]+ 394.41556 206.8
[M+K]+ 415.34490 166.7
[M+H-H2O]+ 359.37900 179.3
[M+HCOO]- 421.37994 180.1
[M+CH3COO]- 435.39559 220.3
[M+Na-2H]- 397.35641 197.9
[M]+ 376.38119 185.3
[M]- 376.38229 185.3
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.