CID 47131

64058-12-4

Structural Information

Molecular Formula
C16H34N2
SMILES
C[N+]1(CC2CCCC(C2)C1)CCCC[N+](C)(C)C
InChI
InChI=1S/C16H34N2/c1-17(2,3)10-5-6-11-18(4)13-15-8-7-9-16(12-15)14-18/h15-16H,5-14H2,1-4H3/q+2
InChIKey
ZHTFPKQTBCDRBO-UHFFFAOYSA-N
Compound name
trimethyl-[4-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)butyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.2722 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.27948 161.4
[M+Na]+ 277.26142 174.9
[M+NH4]+ 272.30602 174.6
[M+K]+ 293.23536 166.3
[M-H]- 253.26492 167.1
[M+Na-2H]- 275.24687 167.9
[M]+ 254.27165 165.9
[M]- 254.27275 165.9
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.