CID 3065090

Octahydro-1',1'-dimethylspiro(naphthalene-2(1h),4'-piperidinium) iodide

Structural Information

Molecular Formula
C16H30N
SMILES
C[N+]1(CCC2(CCC3CCCCC3C2)CC1)C
InChI
InChI=1S/C16H30N/c1-17(2)11-9-16(10-12-17)8-7-14-5-3-4-6-15(14)13-16/h14-15H,3-13H2,1-2H3/q+1
InChIKey
GLXRILPATFUEEG-UHFFFAOYSA-N
Compound name
1',1'-dimethylspiro[2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene-7,4'-piperidin-1-ium]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.23782 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.24510 160.9
[M+Na]+ 259.22704 163.0
[M-H]- 235.23054 163.9
[M+NH4]+ 254.27164 181.7
[M+K]+ 275.20098 154.0
[M+H-H2O]+ 219.23508 155.1
[M+HCOO]- 281.23602 170.8
[M+CH3COO]- 295.25167 185.6
[M+Na-2H]- 257.21249 166.0
[M]+ 236.23727 148.1
[M]- 236.23837 148.1
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.