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

69
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

literature stripe

Patent stripe

patents stripe