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]+ 256.274716 160.0
[M+Na]+ 278.256658 163.9
[M-H]- 254.260164 160.6
[M+NH4]+ 273.301263 178.3
[M+K]+ 294.230598 151.1
[M+H-H2O]+ 238.264700 158.4
[M+HCOO]- 300.265641 172.3
[M+CH3COO]- 314.281291 192.6
[M+Na-2H]- 276.242106 170.5
[M]+ 255.26689142 154.9
[M]- 255.26798858 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.