CID 59642

102585-75-1

Structural Information

Molecular Formula
C15H33N3
SMILES
C[N+]1(C2CCCC1CN(C2)CCC[N+](C)(C)C)C
InChI
InChI=1S/C15H33N3/c1-17(2,3)11-7-10-16-12-14-8-6-9-15(13-16)18(14,4)5/h14-15H,6-13H2,1-5H3/q+2
InChIKey
YVQQANGNTSCWTD-UHFFFAOYSA-N
Compound name
3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.26744 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.27472 160.0
[M+Na]+ 278.25666 163.9
[M-H]- 254.26016 160.6
[M+NH4]+ 273.30126 178.3
[M+K]+ 294.23060 151.1
[M+H-H2O]+ 238.26470 158.4
[M+HCOO]- 300.26564 172.3
[M+CH3COO]- 314.28129 192.6
[M+Na-2H]- 276.24211 170.5
[M]+ 255.26689 154.9
[M]- 255.26799 154.9
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.