CID 35703

7-ethoxycoumarin

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CCOC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

InChIKey

LIFAQMGORKPVDH-UHFFFAOYSA-N

Compound name

7-ethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 373
References: 2148
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	135.0
[M+Na]+	213.05221	145.3
[M-H]-	189.05571	141.0
[M+NH4]+	208.09681	154.9
[M+K]+	229.02615	144.2
[M+H-H2O]+	173.06025	129.1
[M+HCOO]-	235.06119	158.9
[M+CH3COO]-	249.07684	182.4
[M+Na-2H]-	211.03766	145.1
[M]+	190.06244	139.5
[M]-	190.06354	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe