CID 5937

Dimethylmyleran

Structural Information

Molecular Formula
C8H18O6S2
SMILES
CC(CCC(C)OS(=O)(=O)C)OS(=O)(=O)C
InChI
InChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3
InChIKey
JDZNTUQRMDAIRO-UHFFFAOYSA-N
Compound name
5-methylsulfonyloxyhexan-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

318
Patents

274.05447 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06175 162.6
[M+Na]+ 297.04369 167.9
[M+NH4]+ 292.08829 166.7
[M+K]+ 313.01763 163.4
[M-H]- 273.04719 157.6
[M+Na-2H]- 295.02914 161.2
[M]+ 274.05392 162.5
[M]- 274.05502 162.5
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