CID 54750157

Hexaketide pyrone

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)O)O)O

InChI

InChI=1S/C12H10O5/c1-6-2-7(13)3-9(15)12(6)10-4-8(14)5-11(16)17-10/h2-5,13-15H,1H3

InChIKey

PNZHRLSVSIGZON-UHFFFAOYSA-N

Compound name

6-(2,4-dihydroxy-6-methylphenyl)-4-hydroxypyran-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 234.05283 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.06011	147.7
[M+Na]+	257.04205	162.3
[M+NH4]+	252.08665	154.4
[M+K]+	273.01599	157.8
[M-H]-	233.04555	151.2
[M+Na-2H]-	255.02750	154.1
[M]+	234.05228	150.7
[M]-	234.05338	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe