CID 155821024

Ethyl 2,6-dioxooxane-4-carboxylate

Structural Information

Molecular Formula
C8H10O5
SMILES
CCOC(=O)C1CC(=O)OC(=O)C1
InChI
InChI=1S/C8H10O5/c1-2-12-8(11)5-3-6(9)13-7(10)4-5/h5H,2-4H2,1H3
InChIKey
JNMUTPFKCRJKED-UHFFFAOYSA-N
Compound name
ethyl 2,6-dioxooxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05283 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.060106 134.0
[M+Na]+ 209.042048 141.2
[M-H]- 185.045554 138.2
[M+NH4]+ 204.086653 152.5
[M+K]+ 225.015988 142.4
[M+H-H2O]+ 169.050090 128.7
[M+HCOO]- 231.051031 154.4
[M+CH3COO]- 245.066681 179.7
[M+Na-2H]- 207.027496 138.6
[M]+ 186.05228142 135.2
[M]- 186.05337858 135.2
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.