CID 15293760

6-methylluteolin

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C16H12O6/c1-7-10(18)5-14-15(16(7)21)12(20)6-13(22-14)8-2-3-9(17)11(19)4-8/h2-6,17-19,21H,1H3

InChIKey

VSHICDFQSGJNPK-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
Patents: 300.0634 Da
Monoisotopic Mass: 1.7
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]+	301.070676	164.4
[M+Na]+	323.052618	175.7
[M-H]-	299.056124	169.6
[M+NH4]+	318.097223	177.4
[M+K]+	339.026558	172.3
[M+H-H2O]+	283.060660	157.6
[M+HCOO]-	345.061601	182.0
[M+CH3COO]-	359.077251	197.9
[M+Na-2H]-	321.038066	168.7
[M]+	300.06285142	167.2
[M]-	300.06394858	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe