CID 3048245

3-azabicyclo(3.3.1)nonane, 3-(4-(1-methylpyrrolidinio)butyl)-, iodide

Structural Information

Molecular Formula
C17H33N2
SMILES
C[N+]1(CCCC1)CCCCN2CC3CCCC(C3)C2
InChI
InChI=1S/C17H33N2/c1-19(11-4-5-12-19)10-3-2-9-18-14-16-7-6-8-17(13-16)15-18/h16-17H,2-15H2,1H3/q+1
InChIKey
UZDLGJQREYBUJO-UHFFFAOYSA-N
Compound name
3-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.26437 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.27165 169.6
[M+Na]+ 288.25359 171.0
[M-H]- 264.25709 170.4
[M+NH4]+ 283.29819 188.0
[M+K]+ 304.22753 161.4
[M+H-H2O]+ 248.26163 163.1
[M+HCOO]- 310.26257 180.0
[M+CH3COO]- 324.27822 191.9
[M+Na-2H]- 286.23904 172.2
[M]+ 265.26382 160.8
[M]- 265.26492 160.8
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.