CID 99800

Diethyl formylsuccinate diethyl acetal

Structural Information

Molecular Formula
C13H24O6
SMILES
CCOC(C(CC(=O)OCC)C(=O)OCC)OCC
InChI
InChI=1S/C13H24O6/c1-5-16-11(14)9-10(12(15)17-6-2)13(18-7-3)19-8-4/h10,13H,5-9H2,1-4H3
InChIKey
XKFYOTHOBBFZSE-UHFFFAOYSA-N
Compound name
diethyl 2-(diethoxymethyl)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1573 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16458 165.8
[M+Na]+ 299.14652 169.7
[M-H]- 275.15002 165.1
[M+NH4]+ 294.19112 181.7
[M+K]+ 315.12046 171.4
[M+H-H2O]+ 259.15456 159.6
[M+HCOO]- 321.15550 185.2
[M+CH3COO]- 335.17115 200.4
[M+Na-2H]- 297.13197 164.5
[M]+ 276.15675 174.4
[M]- 276.15785 174.4
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

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