CID 128354

105346-34-7

Structural Information

Molecular Formula
C16H18O5
SMILES
CCOC(=O)CCC1C(=C(C(=O)O1)OC)C2=CC=CC=C2
InChI
InChI=1S/C16H18O5/c1-3-20-13(17)10-9-12-14(11-7-5-4-6-8-11)15(19-2)16(18)21-12/h4-8,12H,3,9-10H2,1-2H3
InChIKey
ODHJHYPKZNTPCS-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

290.11542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 165.8
[M+Na]+ 313.10464 177.2
[M+NH4]+ 308.14924 172.1
[M+K]+ 329.07858 173.8
[M-H]- 289.10814 168.9
[M+Na-2H]- 311.09009 170.2
[M]+ 290.11487 168.1
[M]- 290.11597 168.1
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