CID 115642

63992-18-7

Structural Information

Molecular Formula
C16H34N2S
SMILES
CCC1CCCC[N+]1(C)S[N+]2(CCCCC2CC)C
InChI
InChI=1S/C16H34N2S/c1-5-15-11-7-9-13-17(15,3)19-18(4)14-10-8-12-16(18)6-2/h15-16H,5-14H2,1-4H3/q+2
InChIKey
WAOLIEAOFWEUOL-UHFFFAOYSA-N
Compound name
2-ethyl-1-(2-ethyl-1-methylpiperidin-1-ium-1-yl)sulfanyl-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.24426 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.25154 162.4
[M+Na]+ 309.23348 165.2
[M-H]- 285.23698 164.8
[M+NH4]+ 304.27808 179.4
[M+K]+ 325.20742 151.4
[M+H-H2O]+ 269.24152 160.2
[M+HCOO]- 331.24246 168.9
[M+CH3COO]- 345.25811 188.9
[M+Na-2H]- 307.21893 166.5
[M]+ 286.24371 154.7
[M]- 286.24481 154.7
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.