CID 227445

6-methylflavonol

Structural Information

Molecular Formula

C₁₆H₁₂O₃

SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H12O3/c1-10-7-8-13-12(9-10)14(17)15(18)16(19-13)11-5-3-2-4-6-11/h2-9,18H,1H3

InChIKey

KLGALCMPMFKGDQ-UHFFFAOYSA-N

Compound name

3-hydroxy-6-methyl-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 39
Patents: 252.07864 Da
Monoisotopic Mass: 3.8
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]+	253.085916	153.5
[M+Na]+	275.067858	164.3
[M-H]-	251.071364	161.7
[M+NH4]+	270.112463	170.1
[M+K]+	291.041798	160.7
[M+H-H2O]+	235.075900	146.2
[M+HCOO]-	297.076841	175.4
[M+CH3COO]-	311.092491	167.1
[M+Na-2H]-	273.053306	161.1
[M]+	252.07809142	156.0
[M]-	252.07918858	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe