CID 54750155

Heptaketide pyrone

Structural Information

Molecular Formula
C14H12O6
SMILES
CC1=CC(=CC(=C1C(=O)CC2=CC(=CC(=O)O2)O)O)O
InChI
InChI=1S/C14H12O6/c1-7-2-8(15)4-11(17)14(7)12(18)6-10-3-9(16)5-13(19)20-10/h2-5,15-17H,6H2,1H3
InChIKey
JIBVOQAUTOPGPH-UHFFFAOYSA-N
Compound name
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

276.0634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 158.8
[M+Na]+ 299.05262 172.2
[M+NH4]+ 294.09722 164.1
[M+K]+ 315.02656 168.6
[M-H]- 275.05612 161.3
[M+Na-2H]- 297.03807 163.8
[M]+ 276.06285 161.3
[M]- 276.06395 161.3
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

No patent data available for this compound.