CID 5480903

Chembl486406

Structural Information

Molecular Formula

C₁₅H₁₆O₄

SMILES

C1CCC(CC1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

InChI

InChI=1S/C15H16O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h6-9,16-17H,1-5H2

InChIKey

GBLQCGXEHXKBKR-UHFFFAOYSA-N

Compound name

2-cyclohexyl-5,7-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.10486 Da
Monoisotopic Mass: 2.6
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]+	261.11214	155.6
[M+Na]+	283.09408	163.1
[M-H]-	259.09758	161.4
[M+NH4]+	278.13868	170.8
[M+K]+	299.06802	160.1
[M+H-H2O]+	243.10212	148.7
[M+HCOO]-	305.10306	172.2
[M+CH3COO]-	319.11871	191.4
[M+Na-2H]-	281.07953	160.6
[M]+	260.10431	153.2
[M]-	260.10541	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.