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 151.7
[M+Na]+ 249.10973 154.8
[M-H]- 225.11323 153.9
[M+NH4]+ 244.15433 169.1
[M+K]+ 265.08367 154.5
[M+H-H2O]+ 209.11777 145.6
[M+HCOO]- 271.11871 169.4
[M+CH3COO]- 285.13436 188.9
[M+Na-2H]- 247.09518 151.8
[M]+ 226.11996 150.2
[M]- 226.12106 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