CID 45359348

5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3h-chromen-4-one

Structural Information

Molecular Formula
C15H16O6
SMILES
CC1(CC(=O)C2=C(C=C(C=C2O1)CO)O)C3CCC(=O)O3
InChI
InChI=1S/C15H16O6/c1-15(12-2-3-13(19)20-12)6-10(18)14-9(17)4-8(7-16)5-11(14)21-15/h4-5,12,16-17H,2-3,6-7H2,1H3
InChIKey
UTMLPTPULBHGMZ-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.101976 161.8
[M+Na]+ 315.083918 170.2
[M-H]- 291.087424 168.6
[M+NH4]+ 310.128523 178.4
[M+K]+ 331.057858 169.1
[M+H-H2O]+ 275.091960 157.0
[M+HCOO]- 337.092901 177.2
[M+CH3COO]- 351.108551 196.6
[M+Na-2H]- 313.069366 165.2
[M]+ 292.09415142 162.6
[M]- 292.09524858 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.