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 153.9
[M+Na]+ 257.11819 159.5
[M-H]- 233.12169 156.9
[M+NH4]+ 252.16279 172.9
[M+K]+ 273.09213 160.0
[M+H-H2O]+ 217.12623 150.0
[M+HCOO]- 279.12717 166.9
[M+CH3COO]- 293.14282 187.0
[M+Na-2H]- 255.10364 155.0
[M]+ 234.12842 158.3
[M]- 234.12952 158.3
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.