CID 11196546

76426-35-2

Structural Information

Molecular Formula

C₁₆H₁₆O₄

SMILES

COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O

InChI

InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3

InChIKey

KGTOSQKIOMIICT-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 124
Patents: 272.10486 Da
Monoisotopic Mass: 3.1
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]+	273.11214	159.9
[M+Na]+	295.09408	167.7
[M-H]-	271.09758	165.9
[M+NH4]+	290.13868	174.7
[M+K]+	311.06802	164.9
[M+H-H2O]+	255.10212	152.6
[M+HCOO]-	317.10306	177.4
[M+CH3COO]-	331.11871	194.7
[M+Na-2H]-	293.07953	165.2
[M]+	272.10431	159.9
[M]-	272.10541	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe