CID 407838

Thiomorpholinium, 4-hexadecyl-4-methyl-, methanesulfonate

Structural Information

Molecular Formula
C21H44NS
SMILES
CCCCCCCCCCCCCCCC[N+]1(CCSCC1)C
InChI
InChI=1S/C21H44NS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)18-20-23-21-19-22/h3-21H2,1-2H3/q+1
InChIKey
WATKKNWHAVWBPK-UHFFFAOYSA-N
Compound name
4-hexadecyl-4-methylthiomorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.31946 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32674 186.6
[M+Na]+ 365.30868 186.5
[M-H]- 341.31218 185.7
[M+NH4]+ 360.35328 201.0
[M+K]+ 381.28262 176.3
[M+H-H2O]+ 325.31672 181.4
[M+HCOO]- 387.31766 195.9
[M+CH3COO]- 401.33331 208.2
[M+Na-2H]- 363.29413 186.1
[M]+ 342.31891 187.6
[M]- 342.32001 187.6
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

patents stripe