CID 3048247

3-azabicyclo(3.3.1)nonane, 3-(2-(1-methylpyrrolidinio)ethyl)-, iodide

Structural Information

Molecular Formula
C15H29N2
SMILES
C[N+]1(CCCC1)CCN2CC3CCCC(C3)C2
InChI
InChI=1S/C15H29N2/c1-17(8-2-3-9-17)10-7-16-12-14-5-4-6-15(11-14)13-16/h14-15H,2-13H2,1H3/q+1
InChIKey
JNXXNLGXBQFVAL-UHFFFAOYSA-N
Compound name
3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.23308 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.24036 160.6
[M+Na]+ 260.22230 162.9
[M-H]- 236.22580 161.8
[M+NH4]+ 255.26690 180.2
[M+K]+ 276.19624 153.8
[M+H-H2O]+ 220.23034 154.5
[M+HCOO]- 282.23128 171.7
[M+CH3COO]- 296.24693 185.9
[M+Na-2H]- 258.20775 164.3
[M]+ 237.23253 151.2
[M]- 237.23363 151.2
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.