CID 3006752

Ethyl 2,4-dioxooct-7-enoate

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(=O)C(=O)CC(=O)CCC=C
InChI
InChI=1S/C10H14O4/c1-3-5-6-8(11)7-9(12)10(13)14-4-2/h3H,1,4-7H2,2H3
InChIKey
CMFMCOJHCANHSC-UHFFFAOYSA-N
Compound name
ethyl 2,4-dioxooct-7-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

198.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.1
[M+Na]+ 221.078418 149.2
[M-H]- 197.081924 143.0
[M+NH4]+ 216.123023 162.1
[M+K]+ 237.052358 148.8
[M+H-H2O]+ 181.086460 138.0
[M+HCOO]- 243.087401 164.4
[M+CH3COO]- 257.103051 185.4
[M+Na-2H]- 219.063866 144.6
[M]+ 198.08865142 147.0
[M]- 198.08974858 147.0
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

No patent data available for this compound.