CID 54680478

Bisnoryangonin

Structural Information

Molecular Formula

C₁₃H₁₀O₄

SMILES

C1=CC(=CC=C1/C=C/C2=CC(=CC(=O)O2)O)O

InChI

InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+

InChIKey

ORVQWHLMVLOZPX-ZZXKWVIFSA-N

Compound name

4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 50
Patents: 230.0579 Da
Monoisotopic Mass: 2.1
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]+	231.06518	146.9
[M+Na]+	253.04712	156.5
[M-H]-	229.05062	152.7
[M+NH4]+	248.09172	162.6
[M+K]+	269.02106	153.2
[M+H-H2O]+	213.05516	140.4
[M+HCOO]-	275.05610	169.0
[M+CH3COO]-	289.07175	183.7
[M+Na-2H]-	251.03257	153.4
[M]+	230.05735	148.1
[M]-	230.05845	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe