CID 54677403

3-acetyl-4-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C11H8O4
SMILES
CC(=O)C1=C(C2=CC=CC=C2OC1=O)O
InChI
InChI=1S/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,13H,1H3
InChIKey
UTZHUXAPJIBIBQ-UHFFFAOYSA-N
Compound name
3-acetyl-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

43
Patents

204.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 137.2
[M+Na]+ 227.03147 147.7
[M-H]- 203.03497 142.2
[M+NH4]+ 222.07607 155.8
[M+K]+ 243.00541 146.3
[M+H-H2O]+ 187.03951 131.6
[M+HCOO]- 249.04045 158.8
[M+CH3COO]- 263.05610 183.4
[M+Na-2H]- 225.01692 144.9
[M]+ 204.04170 140.4
[M]- 204.04280 140.4
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.