CID 12395031

2-ethoxy-1,3-oxathiolan-5-one

Structural Information

Molecular Formula
C5H8O3S
SMILES
CCOC1OC(=O)CS1
InChI
InChI=1S/C5H8O3S/c1-2-7-5-8-4(6)3-9-5/h5H,2-3H2,1H3
InChIKey
IWANCIFZTWVRRE-UHFFFAOYSA-N
Compound name
2-ethoxy-1,3-oxathiolan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.01941 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.026686 126.8
[M+Na]+ 171.008628 135.2
[M-H]- 147.012134 131.5
[M+NH4]+ 166.053233 149.3
[M+K]+ 186.982568 136.0
[M+H-H2O]+ 131.016670 122.5
[M+HCOO]- 193.017611 145.3
[M+CH3COO]- 207.033261 170.2
[M+Na-2H]- 168.994076 129.9
[M]+ 148.01886142 130.0
[M]- 148.01995858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.