CID 115644

63992-19-8

Structural Information

Molecular Formula
C16H34N2OS
SMILES
CCC1CCCC[N+]1(C)S(=O)[N+]2(CCCCC2CC)C
InChI
InChI=1S/C16H34N2OS/c1-5-15-11-7-9-13-17(15,3)20(19)18(4)14-10-8-12-16(18)6-2/h15-16H,5-14H2,1-4H3/q+2
InChIKey
JMKZQNJIQJAOKC-UHFFFAOYSA-N
Compound name
2-ethyl-1-(2-ethyl-1-methylpiperidin-1-ium-1-yl)sulfinyl-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2392 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24648 165.4
[M+Na]+ 325.22842 168.0
[M-H]- 301.23192 167.8
[M+NH4]+ 320.27302 181.5
[M+K]+ 341.20236 154.4
[M+H-H2O]+ 285.23646 163.5
[M+HCOO]- 347.23740 171.2
[M+CH3COO]- 361.25305 190.3
[M+Na-2H]- 323.21387 168.8
[M]+ 302.23865 157.8
[M]- 302.23975 157.8
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.