CID 12291014

59414-33-4

Structural Information

Molecular Formula

C₁₁H₁₄O₆

SMILES

CCOC(=O)C1(CC(=O)C=CO1)C(=O)OCC

InChI

InChI=1S/C11H14O6/c1-3-15-9(13)11(10(14)16-4-2)7-8(12)5-6-17-11/h5-6H,3-4,7H2,1-2H3

InChIKey

SCTVZKPCGXHGKK-UHFFFAOYSA-N

Compound name

diethyl 4-oxo-3H-pyran-2,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	148.8
[M+Na]+	265.06826	155.4
[M-H]-	241.07176	152.9
[M+NH4]+	260.11286	166.7
[M+K]+	281.04220	157.2
[M+H-H2O]+	225.07630	143.6
[M+HCOO]-	287.07724	168.9
[M+CH3COO]-	301.09289	189.1
[M+Na-2H]-	263.05371	153.7
[M]+	242.07849	153.3
[M]-	242.07959	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.