CID 6451192

1135-22-4

Structural Information

Molecular Formula
C10H18O3S
SMILES
CC(C)(CCCC1=CCS(=O)(=O)C1)O
InChI
InChI=1S/C10H18O3S/c1-10(2,11)6-3-4-9-5-7-14(12,13)8-9/h5,11H,3-4,6-8H2,1-2H3
InChIKey
OLQQKUGPGIOLIW-UHFFFAOYSA-N
Compound name
5-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-2-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.09767 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10495 147.9
[M+Na]+ 241.08689 156.0
[M-H]- 217.09039 150.4
[M+NH4]+ 236.13149 170.3
[M+K]+ 257.06083 153.4
[M+H-H2O]+ 201.09493 144.4
[M+HCOO]- 263.09587 164.1
[M+CH3COO]- 277.11152 181.4
[M+Na-2H]- 239.07234 150.5
[M]+ 218.09712 151.2
[M]- 218.09822 151.2
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.