CID 21156069

72252-46-1

Structural Information

Molecular Formula
C10H14O5
SMILES
CCOC(=O)CCC(=O)C1CC(=O)OC1
InChI
InChI=1S/C10H14O5/c1-2-14-9(12)4-3-8(11)7-5-10(13)15-6-7/h7H,2-6H2,1H3
InChIKey
JSSPTTVDXUEFBG-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-4-(5-oxooxolan-3-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 145.7
[M+Na]+ 237.07334 151.7
[M-H]- 213.07684 149.4
[M+NH4]+ 232.11794 164.5
[M+K]+ 253.04728 152.6
[M+H-H2O]+ 197.08138 140.5
[M+HCOO]- 259.08232 166.5
[M+CH3COO]- 273.09797 185.0
[M+Na-2H]- 235.05879 147.3
[M]+ 214.08357 148.6
[M]- 214.08467 148.6
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.