CID 130299148

Ethyl 2,4-dioxo-4-(1-phenylcyclopropyl)butanoate

Structural Information

Molecular Formula
C15H16O4
SMILES
CCOC(=O)C(=O)CC(=O)C1(CC1)C2=CC=CC=C2
InChI
InChI=1S/C15H16O4/c1-2-19-14(18)12(16)10-13(17)15(8-9-15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey
GBSUQCYNVWYCRI-UHFFFAOYSA-N
Compound name
ethyl 2,4-dioxo-4-(1-phenylcyclopropyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

260.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 162.5
[M+Na]+ 283.09408 174.4
[M+NH4]+ 278.13868 170.8
[M+K]+ 299.06802 169.0
[M-H]- 259.09758 170.8
[M+Na-2H]- 281.07953 171.6
[M]+ 260.10431 167.6
[M]- 260.10541 167.6
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