CID 11623055

5,6-dihydroyangonin

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=CC(=O)OC(C1)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-8,10,13H,9H2,1-2H3/b8-5+
InChIKey
AYXCIWVJOBQVFH-VMPITWQZSA-N
Compound name
4-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

260.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.1
[M+Na]+ 283.09408 164.6
[M-H]- 259.09758 164.5
[M+NH4]+ 278.13868 172.7
[M+K]+ 299.06802 163.1
[M+H-H2O]+ 243.10212 149.7
[M+HCOO]- 305.10306 178.7
[M+CH3COO]- 319.11871 195.2
[M+Na-2H]- 281.07953 161.6
[M]+ 260.10431 159.9
[M]- 260.10541 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

No patent data available for this compound.