CID 5395891

4-ethyl-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C11H10O3
SMILES
CCC1=CC(=O)OC2=C1C=CC(=C2)O
InChI
InChI=1S/C11H10O3/c1-2-7-5-11(13)14-10-6-8(12)3-4-9(7)10/h3-6,12H,2H2,1H3
InChIKey
UNRDBISCGQHNDA-UHFFFAOYSA-N
Compound name
4-ethyl-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

49
Patents

190.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 135.4
[M+Na]+ 213.05221 146.1
[M-H]- 189.05571 140.4
[M+NH4]+ 208.09681 154.9
[M+K]+ 229.02615 144.2
[M+H-H2O]+ 173.06025 129.9
[M+HCOO]- 235.06119 157.7
[M+CH3COO]- 249.07684 181.1
[M+Na-2H]- 211.03766 144.3
[M]+ 190.06244 138.5
[M]- 190.06354 138.5
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