CID 10748

7-methoxycoumarin

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

COC1=CC2=C(C=C1)C=CC(=O)O2

InChI

InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3

InChIKey

LIIALPBMIOVAHH-UHFFFAOYSA-N

Compound name

7-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 107
References: 8524
Patents: 176.04735 Da
Monoisotopic Mass: 1.9
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]+	177.05463	130.1
[M+Na]+	199.03657	140.8
[M-H]-	175.04007	136.4
[M+NH4]+	194.08117	150.6
[M+K]+	215.01051	140.0
[M+H-H2O]+	159.04461	124.4
[M+HCOO]-	221.04555	154.4
[M+CH3COO]-	235.06120	179.4
[M+Na-2H]-	197.02202	140.8
[M]+	176.04680	134.3
[M]-	176.04790	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe