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

30
Patents

226.12051 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12779 152.2
[M+Na]+ 249.10973 160.0
[M+NH4]+ 244.15433 158.2
[M+K]+ 265.08367 156.1
[M-H]- 225.11323 151.5
[M+Na-2H]- 247.09518 154.2
[M]+ 226.11996 152.6
[M]- 226.12106 152.6
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

patents stripe