CID 12809666

2,2-diethyl4-oxooxane-2,2-dicarboxylate

Structural Information

Molecular Formula
C11H16O6
SMILES
CCOC(=O)C1(CC(=O)CCO1)C(=O)OCC
InChI
InChI=1S/C11H16O6/c1-3-15-9(13)11(10(14)16-4-2)7-8(12)5-6-17-11/h3-7H2,1-2H3
InChIKey
AKHWUQNUDFNBJW-UHFFFAOYSA-N
Compound name
diethyl 4-oxooxane-2,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.09468 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10196 150.3
[M+Na]+ 267.08390 155.9
[M-H]- 243.08740 154.0
[M+NH4]+ 262.12850 168.1
[M+K]+ 283.05784 157.9
[M+H-H2O]+ 227.09194 145.3
[M+HCOO]- 289.09288 169.0
[M+CH3COO]- 303.10853 189.5
[M+Na-2H]- 265.06935 154.3
[M]+ 244.09413 153.4
[M]- 244.09523 153.4
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.