CID 99801

Diethyl 2-(diethoxymethyl)-3-formylsuccinate

Structural Information

Molecular Formula
C14H24O7
SMILES
CCOC(C(C(C=O)C(=O)OCC)C(=O)OCC)OCC
InChI
InChI=1S/C14H24O7/c1-5-18-12(16)10(9-15)11(13(17)19-6-2)14(20-7-3)21-8-4/h9-11,14H,5-8H2,1-4H3
InChIKey
VWMWTNGQVQUUPC-UHFFFAOYSA-N
Compound name
diethyl 2-(diethoxymethyl)-3-formylbutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

304.1522 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15948 170.5
[M+Na]+ 327.14142 174.0
[M-H]- 303.14492 169.7
[M+NH4]+ 322.18602 189.5
[M+K]+ 343.11536 176.0
[M+H-H2O]+ 287.14946 164.2
[M+HCOO]- 349.15040 189.1
[M+CH3COO]- 363.16605 205.5
[M+Na-2H]- 325.12687 167.8
[M]+ 304.15165 179.6
[M]- 304.15275 179.6
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.