CID 46828

1-cyclohexylmethylazabicyclo(3.2.2)nonane dihydrochloride

Structural Information

Molecular Formula
C15H28N
SMILES
C1CCC(CC1)C[N+]23CCCC(CC2)CC3
InChI
InChI=1S/C15H28N/c1-2-5-15(6-3-1)13-16-10-4-7-14(8-11-16)9-12-16/h14-15H,1-13H2/q+1
InChIKey
NEECUSSGPRMCDO-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)-1-azoniabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.22217 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.22945 159.2
[M+Na]+ 245.21139 163.6
[M-H]- 221.21489 160.6
[M+NH4]+ 240.25599 178.8
[M+K]+ 261.18533 153.1
[M+H-H2O]+ 205.21943 159.1
[M+HCOO]- 267.22037 165.9
[M+CH3COO]- 281.23602 166.6
[M+Na-2H]- 243.19684 168.1
[M]+ 222.22162 151.5
[M]- 222.22272 151.5
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.