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 160.5
[M+Na]+ 313.19202 162.3
[M-H]- 289.19552 163.8
[M+NH4]+ 308.23662 174.1
[M+K]+ 329.16596 152.0
[M+H-H2O]+ 273.20006 157.9
[M+HCOO]- 335.20100 166.7
[M+CH3COO]- 349.21665 185.0
[M+Na-2H]- 311.17747 168.6
[M]+ 290.20225 155.1
[M]- 290.20335 155.1
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.