CID 3053238

69663-09-8

Structural Information

Molecular Formula
C9H18O5S2
SMILES
CCCCCS(=O)(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C9H18O5S2/c1-2-3-4-5-16(13,14)9-7-15(11,12)6-8(9)10/h8-10H,2-7H2,1H3
InChIKey
XZKJGVVTVFWICZ-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-pentylsulfonylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.05957 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06685 156.9
[M+Na]+ 293.04879 164.6
[M-H]- 269.05229 158.5
[M+NH4]+ 288.09339 176.7
[M+K]+ 309.02273 160.8
[M+H-H2O]+ 253.05683 153.6
[M+HCOO]- 315.05777 166.8
[M+CH3COO]- 329.07342 187.4
[M+Na-2H]- 291.03424 157.6
[M]+ 270.05902 161.0
[M]- 270.06012 161.0
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.