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

26
Patents

260.10486 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 158.8
[M+Na]+ 283.094078 166.2
[M-H]- 259.097584 166.0
[M+NH4]+ 278.138683 172.2
[M+K]+ 299.068018 164.5
[M+H-H2O]+ 243.102120 152.7
[M+HCOO]- 305.103061 180.0
[M+CH3COO]- 319.118711 197.5
[M+Na-2H]- 281.079526 161.9
[M]+ 260.10431142 164.2
[M]- 260.10540858 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