CID 5395891

4-ethyl-7-hydroxycoumarin

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: 45
Patents: 190.06299 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.07027	136.1
[M+Na]+	213.05221	151.4
[M+NH4]+	208.09681	145.0
[M+K]+	229.02615	144.9
[M-H]-	189.05571	140.0
[M+Na-2H]-	211.03766	142.8
[M]+	190.06244	139.5
[M]-	190.06354	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe