CID 14756305

3-methylnaringenin

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H14O5/c1-8-15(20)14-12(19)6-11(18)7-13(14)21-16(8)9-2-4-10(17)5-3-9/h2-8,16-19H,1H3

InChIKey

GRHSSRUEUOYZIV-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 286.08414 Da
Monoisotopic Mass: 3.0
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]+	287.09142	162.4
[M+Na]+	309.07336	171.6
[M-H]-	285.07686	167.8
[M+NH4]+	304.11796	176.3
[M+K]+	325.04730	168.3
[M+H-H2O]+	269.08140	155.6
[M+HCOO]-	331.08234	178.6
[M+CH3COO]-	345.09799	196.8
[M+Na-2H]-	307.05881	166.0
[M]+	286.08359	162.3
[M]-	286.08469	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe