CID 3113638

4905-71-9

Structural Information

Molecular Formula
C10H16O5S
SMILES
CCOC(=O)C(C1CCS(=O)(=O)C1)C(=O)C
InChI
InChI=1S/C10H16O5S/c1-3-15-10(12)9(7(2)11)8-4-5-16(13,14)6-8/h8-9H,3-6H2,1-2H3
InChIKey
WINWJOBODCLFQL-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07184 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07912 152.9
[M+Na]+ 271.06106 159.4
[M-H]- 247.06456 156.2
[M+NH4]+ 266.10566 174.0
[M+K]+ 287.03500 158.8
[M+H-H2O]+ 231.06910 148.9
[M+HCOO]- 293.07004 168.3
[M+CH3COO]- 307.08569 188.4
[M+Na-2H]- 269.04651 151.4
[M]+ 248.07129 156.7
[M]- 248.07239 156.7
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.