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]+ 149.02669 126.8
[M+Na]+ 171.00863 135.2
[M-H]- 147.01213 131.5
[M+NH4]+ 166.05323 149.3
[M+K]+ 186.98257 136.0
[M+H-H2O]+ 131.01667 122.5
[M+HCOO]- 193.01761 145.3
[M+CH3COO]- 207.03326 170.2
[M+Na-2H]- 168.99408 129.9
[M]+ 148.01886 130.0
[M]- 148.01996 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.