CID 56940

Brn 5727575

Structural Information

Molecular Formula
C9H18O2S
SMILES
CCSCC(C)C1(OCCO1)C
InChI
InChI=1S/C9H18O2S/c1-4-12-7-8(2)9(3)10-5-6-11-9/h8H,4-7H2,1-3H3
InChIKey
YRUSLUOOZDUFQT-UHFFFAOYSA-N
Compound name
2-(1-ethylsulfanylpropan-2-yl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.10275 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.110026 141.9
[M+Na]+ 213.091968 148.2
[M-H]- 189.095474 146.5
[M+NH4]+ 208.136573 163.3
[M+K]+ 229.065908 149.8
[M+H-H2O]+ 173.100010 138.0
[M+HCOO]- 235.100951 156.9
[M+CH3COO]- 249.116601 180.5
[M+Na-2H]- 211.077416 144.8
[M]+ 190.10220142 145.6
[M]- 190.10329858 145.6
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.