CID 44149232

94088-20-7

Structural Information

Molecular Formula
C10H14O5
SMILES
CCC1C(C(=O)C(=O)O1)(C)C(=O)OCC
InChI
InChI=1S/C10H14O5/c1-4-6-10(3,9(13)14-5-2)7(11)8(12)15-6/h6H,4-5H2,1-3H3
InChIKey
MDCJZBLMUIGLDD-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-3-methyl-4,5-dioxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.091396 140.4
[M+Na]+ 237.073338 149.4
[M-H]- 213.076844 145.2
[M+NH4]+ 232.117943 162.1
[M+K]+ 253.047278 150.2
[M+H-H2O]+ 197.081380 137.1
[M+HCOO]- 259.082321 162.3
[M+CH3COO]- 273.097971 186.1
[M+Na-2H]- 235.058786 143.9
[M]+ 214.08357142 145.2
[M]- 214.08466858 145.2
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.