CID 96492

Di-o-acetylkojic acid

Structural Information

Molecular Formula
C10H10O6
SMILES
CC(=O)OCC1=CC(=O)C(=CO1)OC(=O)C
InChI
InChI=1S/C10H10O6/c1-6(11)14-4-8-3-9(13)10(5-15-8)16-7(2)12/h3,5H,4H2,1-2H3
InChIKey
FTWYBBBWGWWCAZ-UHFFFAOYSA-N
Compound name
(5-acetyloxy-4-oxopyran-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04774 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05502 144.1
[M+Na]+ 249.03696 155.6
[M+NH4]+ 244.08156 149.5
[M+K]+ 265.01090 152.6
[M-H]- 225.04046 144.6
[M+Na-2H]- 247.02241 148.0
[M]+ 226.04719 145.6
[M]- 226.04829 145.6
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.