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

5
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

literature stripe

Patent stripe

patents stripe