CID 10607581

42564-36-3

Structural Information

Molecular Formula
C8H10O5
SMILES
CCOC(=O)C(=O)C1CCOC1=O
InChI
InChI=1S/C8H10O5/c1-2-12-8(11)6(9)5-3-4-13-7(5)10/h5H,2-4H2,1H3
InChIKey
UBJLUTQBSGFTBU-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(2-oxooxolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

186.05283 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 136.1
[M+Na]+ 209.042048 143.0
[M-H]- 185.045554 140.2
[M+NH4]+ 204.086653 156.1
[M+K]+ 225.015988 144.4
[M+H-H2O]+ 169.050090 131.3
[M+HCOO]- 231.051031 157.6
[M+CH3COO]- 245.066681 179.0
[M+Na-2H]- 207.027496 138.9
[M]+ 186.05228142 138.3
[M]- 186.05337858 138.3
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

patents stripe