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: 9
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]+	207.065176	138.2
[M+Na]+	229.047118	149.7
[M-H]-	205.050624	143.6
[M+NH4]+	224.091723	157.2
[M+K]+	245.021058	148.4
[M+H-H2O]+	189.055160	132.6
[M+HCOO]-	251.056101	160.6
[M+CH3COO]-	265.071751	184.5
[M+Na-2H]-	227.032566	146.4
[M]+	206.05735142	143.1
[M]-	206.05844858	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe