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: 8
Patents: 242.07904 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.08632	152.7
[M+Na]+	265.06826	160.1
[M+NH4]+	260.11286	157.3
[M+K]+	281.04220	159.3
[M-H]-	241.07176	150.2
[M+Na-2H]-	263.05371	152.6
[M]+	242.07849	152.4
[M]-	242.07959	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe