CID 5318268

41680-12-0

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CC1=CC(=CC2=C1C(=CC(=O)O2)OC)O

InChI

InChI=1S/C11H10O4/c1-6-3-7(12)4-9-11(6)8(14-2)5-10(13)15-9/h3-5,12H,1-2H3

InChIKey

UMLNUFLSRYJZFA-UHFFFAOYSA-N

Compound name

7-hydroxy-4-methoxy-5-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 206.0579 Da
Monoisotopic Mass: 1.6
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]+	207.06518	139.1
[M+Na]+	229.04712	154.3
[M+NH4]+	224.09172	147.4
[M+K]+	245.02106	148.6
[M-H]-	205.05062	142.5
[M+Na-2H]-	227.03257	145.2
[M]+	206.05735	142.3
[M]-	206.05845	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe