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]+ 191.11003 141.9
[M+Na]+ 213.09197 148.2
[M-H]- 189.09547 146.5
[M+NH4]+ 208.13657 163.3
[M+K]+ 229.06591 149.8
[M+H-H2O]+ 173.10001 138.0
[M+HCOO]- 235.10095 156.9
[M+CH3COO]- 249.11660 180.5
[M+Na-2H]- 211.07742 144.8
[M]+ 190.10220 145.6
[M]- 190.10330 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.