CID 3053237

69663-08-7

Structural Information

Molecular Formula
C9H18O4S2
SMILES
CCCCCS(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C9H18O4S2/c1-2-3-4-5-14(11)9-7-15(12,13)6-8(9)10/h8-10H,2-7H2,1H3
InChIKey
DGXFVMKGRMYZAD-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-pentylsulfinylthiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06465 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07193 152.6
[M+Na]+ 277.05387 159.9
[M-H]- 253.05737 154.3
[M+NH4]+ 272.09847 173.3
[M+K]+ 293.02781 156.3
[M+H-H2O]+ 237.06191 149.0
[M+HCOO]- 299.06285 162.6
[M+CH3COO]- 313.07850 186.6
[M+Na-2H]- 275.03932 150.9
[M]+ 254.06410 156.0
[M]- 254.06520 156.0
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.