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

literature stripe

Patent stripe

patents stripe