CID 66595

7-ethoxy-4-methylcoumarin

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

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

InChI

InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3

InChIKey

NKRISXMDKXBVRJ-UHFFFAOYSA-N

Compound name

7-ethoxy-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 240
Patents: 204.07864 Da
Monoisotopic Mass: 2.6
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]+	205.08592	140.0
[M+Na]+	227.06786	155.7
[M+NH4]+	222.11246	149.1
[M+K]+	243.04180	148.7
[M-H]-	203.07136	144.4
[M+Na-2H]-	225.05331	147.2
[M]+	204.07809	143.7
[M]-	204.07919	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe