CID 56942

Brn 5497284

Structural Information

Molecular Formula
C10H20O3S
SMILES
CCSCC(C)C1(OCC(O1)CO)C
InChI
InChI=1S/C10H20O3S/c1-4-14-7-8(2)10(3)12-6-9(5-11)13-10/h8-9,11H,4-7H2,1-3H3
InChIKey
PODOKRBZPJMGKO-UHFFFAOYSA-N
Compound name
[2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11331 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12059 150.4
[M+Na]+ 243.10253 158.5
[M+NH4]+ 238.14713 159.3
[M+K]+ 259.07647 152.7
[M-H]- 219.10603 152.9
[M+Na-2H]- 241.08798 152.5
[M]+ 220.11276 152.7
[M]- 220.11386 152.7
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.