CID 308117

Methyl 2,4-dioxo-4-phenylbutanoate

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C(=O)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
AQYAHPDSJAFBOS-UHFFFAOYSA-N
Compound name
methyl 2,4-dioxo-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

161
Patents

206.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 143.3
[M+Na]+ 229.04712 154.1
[M+NH4]+ 224.09172 149.7
[M+K]+ 245.02106 149.8
[M-H]- 205.05062 143.2
[M+Na-2H]- 227.03257 148.3
[M]+ 206.05735 144.4
[M]- 206.05845 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe