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 164.7
[M+Na]+ 309.23348 165.7
[M-H]- 285.23698 166.4
[M+NH4]+ 304.27808 181.0
[M+K]+ 325.20742 152.0
[M+H-H2O]+ 269.24152 161.8
[M+HCOO]- 331.24246 171.3
[M+CH3COO]- 345.25811 187.0
[M+Na-2H]- 307.21893 169.6
[M]+ 286.24371 156.3
[M]- 286.24481 156.3
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.