CID 3062486

Piperidinium, 1,1'-(thiodiethylene)bis(1-methyl-, diiodide

Structural Information

Molecular Formula
C16H34N2S
SMILES
C[N+]1(CCCCC1)CCSCC[N+]2(CCCCC2)C
InChI
InChI=1S/C16H34N2S/c1-17(9-5-3-6-10-17)13-15-19-16-14-18(2)11-7-4-8-12-18/h3-16H2,1-2H3/q+2
InChIKey
GAUDIDXGOIEOSH-UHFFFAOYSA-N
Compound name
1-methyl-1-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.24426 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25154 165.4
[M+Na]+ 309.23348 178.8
[M+NH4]+ 304.27808 179.4
[M+K]+ 325.20742 166.1
[M-H]- 285.23698 172.3
[M+Na-2H]- 307.21893 175.2
[M]+ 286.24371 170.8
[M]- 286.24481 170.8
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.