CID 65111

Decyl methyl sulfoxide

Structural Information

Molecular Formula
C11H24OS
SMILES
CCCCCCCCCCS(=O)C
InChI
InChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-10-11-13(2)12/h3-11H2,1-2H3
InChIKey
NZJXADCEESMBPW-UHFFFAOYSA-N
Compound name
1-methylsulfinyldecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

15408
Patents

204.15479 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16207 149.6
[M+Na]+ 227.14401 154.8
[M-H]- 203.14751 149.3
[M+NH4]+ 222.18861 169.4
[M+K]+ 243.11795 152.5
[M+H-H2O]+ 187.15205 144.0
[M+HCOO]- 249.15299 165.7
[M+CH3COO]- 263.16864 188.2
[M+Na-2H]- 225.12946 149.3
[M]+ 204.15424 155.0
[M]- 204.15534 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe