CID 11106144

7-methoxy-6-methylcoumarin

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

CC1=CC2=C(C=C1OC)OC(=O)C=C2

InChI

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

InChIKey

XROAZTOPXRDRAO-UHFFFAOYSA-N

Compound name

7-methoxy-6-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.06299 Da
Monoisotopic Mass: 2.2
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	135.4
[M+Na]+	213.05221	151.3
[M+NH4]+	208.09681	144.7
[M+K]+	229.02615	144.5
[M-H]-	189.05571	139.8
[M+Na-2H]-	211.03766	142.8
[M]+	190.06244	139.1
[M]-	190.06354	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe