CID 59636

3-aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(4-methylmorpholinio)propyl)-, diiodide

Structural Information

Molecular Formula
C17H35N3O
SMILES
C[N+]1(C2CCCC1CN(C2)CCC[N+]3(CCOCC3)C)C
InChI
InChI=1S/C17H35N3O/c1-19(2)16-6-4-7-17(19)15-18(14-16)8-5-9-20(3)10-12-21-13-11-20/h16-17H,4-15H2,1-3H3/q+2
InChIKey
CQGPFUSJUXORDX-UHFFFAOYSA-N
Compound name
4-[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.278 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.28528 173.1
[M+Na]+ 320.26722 175.1
[M-H]- 296.27072 173.6
[M+NH4]+ 315.31182 187.5
[M+K]+ 336.24116 162.2
[M+H-H2O]+ 280.27526 168.0
[M+HCOO]- 342.27620 178.7
[M+CH3COO]- 356.29185 192.3
[M+Na-2H]- 318.25267 181.0
[M]+ 297.27745 163.9
[M]- 297.27855 163.9
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.