CID 23005470

Ethyl 4-cyclohexyl-2,4-dioxobutanoate

Structural Information

Molecular Formula
C12H18O4
SMILES
CCOC(=O)C(=O)CC(=O)C1CCCCC1
InChI
InChI=1S/C12H18O4/c1-2-16-12(15)11(14)8-10(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKey
AENZJLQZKJPTQT-UHFFFAOYSA-N
Compound name
ethyl 4-cyclohexyl-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

226.12051 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.127786 151.7
[M+Na]+ 249.109728 154.8
[M-H]- 225.113234 153.9
[M+NH4]+ 244.154333 169.1
[M+K]+ 265.083668 154.5
[M+H-H2O]+ 209.117770 145.6
[M+HCOO]- 271.118711 169.4
[M+CH3COO]- 285.134361 188.9
[M+Na-2H]- 247.095176 151.8
[M]+ 226.11996142 150.2
[M]- 226.12105858 150.2
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

patents stripe