CID 47119

64058-06-6

Structural Information

Molecular Formula
C14H30N2
SMILES
C[N+]1(CC2CCCC(C2)C1)CC[N+](C)(C)C
InChI
InChI=1S/C14H30N2/c1-15(2,3)8-9-16(4)11-13-6-5-7-14(10-13)12-16/h13-14H,5-12H2,1-4H3/q+2
InChIKey
AAVSFJYSOBLIDF-UHFFFAOYSA-N
Compound name
trimethyl-[2-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.2409 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.24818 151.9
[M+Na]+ 249.23012 155.3
[M-H]- 225.23362 153.8
[M+NH4]+ 244.27472 172.4
[M+K]+ 265.20406 142.8
[M+H-H2O]+ 209.23816 151.3
[M+HCOO]- 271.23910 165.8
[M+CH3COO]- 285.25475 186.0
[M+Na-2H]- 247.21557 163.2
[M]+ 226.24035 145.7
[M]- 226.24145 145.7
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.