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

30
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 158.8
[M+Na]+ 283.09408 166.2
[M-H]- 259.09758 166.0
[M+NH4]+ 278.13868 172.2
[M+K]+ 299.06802 164.5
[M+H-H2O]+ 243.10212 152.7
[M+HCOO]- 305.10306 180.0
[M+CH3COO]- 319.11871 197.5
[M+Na-2H]- 281.07953 161.9
[M]+ 260.10431 164.2
[M]- 260.10541 164.2
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