CID 46805

3-azabicyclo(3.3.1)nonane, 3-(2-(trimethylammonio)ethyl)-, iodide

Structural Information

Molecular Formula
C13H27N2
SMILES
C[N+](C)(C)CCN1CC2CCCC(C2)C1
InChI
InChI=1S/C13H27N2/c1-15(2,3)8-7-14-10-12-5-4-6-13(9-12)11-14/h12-13H,4-11H2,1-3H3/q+1
InChIKey
VLLUTZFIUSUNCM-UHFFFAOYSA-N
Compound name
2-(3-azabicyclo[3.3.1]nonan-3-yl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.21742 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.22470 150.2
[M+Na]+ 234.20664 153.2
[M-H]- 210.21014 151.7
[M+NH4]+ 229.25124 169.6
[M+K]+ 250.18058 146.1
[M+H-H2O]+ 194.21468 146.3
[M+HCOO]- 256.21562 165.0
[M+CH3COO]- 270.23127 188.9
[M+Na-2H]- 232.19209 158.7
[M]+ 211.21687 144.9
[M]- 211.21797 144.9
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.