CID 54716827

55004-81-4

Structural Information

Molecular Formula
C11H10O4
SMILES
CCOC1=CC2=C(C=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C11H10O4/c1-2-14-7-3-4-8-9(12)6-11(13)15-10(8)5-7/h3-6,12H,2H2,1H3
InChIKey
BPWIJZQVCZRWTJ-UHFFFAOYSA-N
Compound name
7-ethoxy-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.0579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 138.5
[M+Na]+ 229.04712 149.0
[M-H]- 205.05062 143.4
[M+NH4]+ 224.09172 157.2
[M+K]+ 245.02106 147.7
[M+H-H2O]+ 189.05516 132.7
[M+HCOO]- 251.05610 161.0
[M+CH3COO]- 265.07175 183.2
[M+Na-2H]- 227.03257 147.4
[M]+ 206.05735 143.0
[M]- 206.05845 143.0
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.