CID 6871

Diethyl ethoxymethylenemalonate

Structural Information

Molecular Formula
C10H16O5
SMILES
CCOC=C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3
InChIKey
LTMHNWPUDSTBKD-UHFFFAOYSA-N
Compound name
diethyl 2-(ethoxymethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

8428
Patents

216.09978 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.107056 147.8
[M+Na]+ 239.088998 153.7
[M-H]- 215.092504 147.8
[M+NH4]+ 234.133603 166.4
[M+K]+ 255.062938 154.5
[M+H-H2O]+ 199.097040 142.5
[M+HCOO]- 261.097981 169.3
[M+CH3COO]- 275.113631 187.0
[M+Na-2H]- 237.074446 149.3
[M]+ 216.09923142 153.7
[M]- 216.10032858 153.7
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