CID 90873

23033-97-8

Structural Information

Molecular Formula
C12H16O6
SMILES
CCOC(=O)C1C(C(C(=O)C1=O)C(=O)OCC)C
InChI
InChI=1S/C12H16O6/c1-4-17-11(15)7-6(3)8(10(14)9(7)13)12(16)18-5-2/h6-8H,4-5H2,1-3H3
InChIKey
NYYROUZBOZYRNE-UHFFFAOYSA-N
Compound name
diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.0947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10198 156.5
[M+Na]+ 279.08392 164.0
[M+NH4]+ 274.12852 160.9
[M+K]+ 295.05786 163.3
[M-H]- 255.08742 154.0
[M+Na-2H]- 277.06937 156.0
[M]+ 256.09415 156.2
[M]- 256.09525 156.2
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.