CID 367929

3-methoxychromen-2-one

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

COC1=CC2=CC=CC=C2OC1=O

InChI

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

InChIKey

HQCYVSPJIOJEGA-UHFFFAOYSA-N

Compound name

3-methoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7271
Patents: 176.04735 Da
Monoisotopic Mass: 2.1
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]+	177.054626	130.1
[M+Na]+	199.036568	140.8
[M-H]-	175.040074	136.4
[M+NH4]+	194.081173	150.6
[M+K]+	215.010508	140.0
[M+H-H2O]+	159.044610	124.4
[M+HCOO]-	221.045551	154.4
[M+CH3COO]-	235.061201	179.4
[M+Na-2H]-	197.022016	140.8
[M]+	176.04680142	134.3
[M]-	176.04789858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe