CID 5273621

Desmethoxyyangonin

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey
DKKJNZYHGRUXBS-BQYQJAHWSA-N
Compound name
4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

447
Patents

228.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 147.5
[M+Na]+ 251.06786 156.7
[M-H]- 227.07136 155.5
[M+NH4]+ 246.11246 164.4
[M+K]+ 267.04180 154.4
[M+H-H2O]+ 211.07590 140.3
[M+HCOO]- 273.07684 172.1
[M+CH3COO]- 287.09249 188.2
[M+Na-2H]- 249.05331 155.1
[M]+ 228.07809 150.9
[M]- 228.07919 150.9
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