CID 155821024

2490400-62-7

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]+ 187.06011 134.0
[M+Na]+ 209.04205 141.2
[M-H]- 185.04555 138.2
[M+NH4]+ 204.08665 152.5
[M+K]+ 225.01599 142.4
[M+H-H2O]+ 169.05009 128.7
[M+HCOO]- 231.05103 154.4
[M+CH3COO]- 245.06668 179.7
[M+Na-2H]- 207.02750 138.6
[M]+ 186.05228 135.2
[M]- 186.05338 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.