CID 5356861

39973-76-7

Structural Information

Molecular Formula
C14H16O4
SMILES
CCO/C=C(/C(=O)C1=CC=CC=C1)\C(=O)OCC
InChI
InChI=1S/C14H16O4/c1-3-17-10-12(14(16)18-4-2)13(15)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-
InChIKey
YAHUDNWHZFLCBN-BENRWUELSA-N
Compound name
ethyl (Z)-2-benzoyl-3-ethoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

248.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.112136 156.6
[M+Na]+ 271.094078 161.9
[M-H]- 247.097584 159.6
[M+NH4]+ 266.138683 173.4
[M+K]+ 287.068018 160.6
[M+H-H2O]+ 231.102120 149.8
[M+HCOO]- 293.103061 178.0
[M+CH3COO]- 307.118711 193.1
[M+Na-2H]- 269.079526 158.5
[M]+ 248.10431142 159.9
[M]- 248.10540858 159.9
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