CID 56943

Brn 5424488

Structural Information

Molecular Formula
C11H22O3S
SMILES
CCCSCC(C)C1(OCC(O1)CO)C
InChI
InChI=1S/C11H22O3S/c1-4-5-15-8-9(2)11(3)13-7-10(6-12)14-11/h9-10,12H,4-8H2,1-3H3
InChIKey
XHBJTZPUCLKZJI-UHFFFAOYSA-N
Compound name
[2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12897 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13625 154.7
[M+Na]+ 257.11819 162.6
[M+NH4]+ 252.16279 163.4
[M+K]+ 273.09213 156.5
[M-H]- 233.12169 157.2
[M+Na-2H]- 255.10364 156.6
[M]+ 234.12842 157.0
[M]- 234.12952 157.0
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.