CID 131751359

11-hydroxyyangonin

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=O)O2)OC)O
InChI
InChI=1S/C15H14O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h3-9,16H,1-2H3/b5-3-
InChIKey
OCZUPEYJZNWTBK-HYXAFXHYSA-N
Compound name
6-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-4-methoxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

274.08414 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.3
[M+Na]+ 297.07336 174.2
[M+NH4]+ 292.11796 165.9
[M+K]+ 313.04730 168.0
[M-H]- 273.07686 163.5
[M+Na-2H]- 295.05881 166.4
[M]+ 274.08359 162.6
[M]- 274.08469 162.6
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