CID 3051004

4,4'-thiodiethylenebis(4-methylmorpholinium) dichloride

Structural Information

Molecular Formula
C14H30N2O2S
SMILES
C[N+]1(CCOCC1)CCSCC[N+]2(CCOCC2)C
InChI
InChI=1S/C14H30N2O2S/c1-15(3-9-17-10-4-15)7-13-19-14-8-16(2)5-11-18-12-6-16/h3-14H2,1-2H3/q+2
InChIKey
XJQBKONQRVNAQJ-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylsulfanyl]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21008 162.7
[M+Na]+ 313.19202 176.3
[M+NH4]+ 308.23662 175.6
[M+K]+ 329.16596 165.7
[M-H]- 289.19552 171.2
[M+Na-2H]- 311.17747 171.2
[M]+ 290.20225 168.6
[M]- 290.20335 168.6
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.