CID 95521

10088-87-6

Structural Information

Molecular Formula
C11H14O6
SMILES
CCOC(=O)C1CC(C(=O)C1=O)C(=O)OCC
InChI
InChI=1S/C11H14O6/c1-3-16-10(14)6-5-7(9(13)8(6)12)11(15)17-4-2/h6-7H,3-5H2,1-2H3
InChIKey
PTZPVYPRNQVKGV-UHFFFAOYSA-N
Compound name
diethyl 4,5-dioxocyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

242.07904 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08632 148.6
[M+Na]+ 265.06826 156.2
[M-H]- 241.07176 152.3
[M+NH4]+ 260.11286 168.1
[M+K]+ 281.04220 156.1
[M+H-H2O]+ 225.07630 143.8
[M+HCOO]- 287.07724 170.4
[M+CH3COO]- 301.09289 191.1
[M+Na-2H]- 263.05371 148.0
[M]+ 242.07849 152.8
[M]- 242.07959 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe