CID 3048249

3-azabicyclo(3.3.1)nonane, 3-(3-(1-methylpyrrolidinio)propyl)-, iodide

Structural Information

Molecular Formula
C16H31N2
SMILES
C[N+]1(CCCC1)CCCN2CC3CCCC(C3)C2
InChI
InChI=1S/C16H31N2/c1-18(9-2-3-10-18)11-5-8-17-13-15-6-4-7-16(12-15)14-17/h15-16H,2-14H2,1H3/q+1
InChIKey
KPDDQXYKZDEIRA-UHFFFAOYSA-N
Compound name
3-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.24872 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.25600 165.1
[M+Na]+ 274.23794 166.9
[M-H]- 250.24144 166.1
[M+NH4]+ 269.28254 184.1
[M+K]+ 290.21188 157.6
[M+H-H2O]+ 234.24598 158.8
[M+HCOO]- 296.24692 175.9
[M+CH3COO]- 310.26257 188.9
[M+Na-2H]- 272.22339 168.3
[M]+ 251.24817 156.0
[M]- 251.24927 156.0
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.