CID 5480903

2-cyclohexyl-5,7-dihydroxy-4h-chromen-4-one

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 155.6
[M+Na]+ 283.094078 163.1
[M-H]- 259.097584 161.4
[M+NH4]+ 278.138683 170.8
[M+K]+ 299.068018 160.1
[M+H-H2O]+ 243.102120 148.7
[M+HCOO]- 305.103061 172.2
[M+CH3COO]- 319.118711 191.4
[M+Na-2H]- 281.079526 160.6
[M]+ 260.10431142 153.2
[M]- 260.10540858 153.2
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.