CID 53356511

Pisonin a

Structural Information

Molecular Formula

C₁₁H₁₀O₅

SMILES

COC1=C(C(=C2C(=O)C=COC2=C1)O)OC

InChI

InChI=1S/C11H10O5/c1-14-8-5-7-9(6(12)3-4-16-7)10(13)11(8)15-2/h3-5,13H,1-2H3

InChIKey

YZBKMZJFKYGNON-UHFFFAOYSA-N

Compound name

5-hydroxy-6,7-dimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 222.05283 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]+	223.060106	141.1
[M+Na]+	245.042048	152.4
[M-H]-	221.045554	146.4
[M+NH4]+	240.086653	159.3
[M+K]+	261.015988	151.7
[M+H-H2O]+	205.050090	135.2
[M+HCOO]-	267.051031	163.7
[M+CH3COO]-	281.066681	186.8
[M+Na-2H]-	243.027496	149.4
[M]+	222.05228142	147.5
[M]-	222.05337858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe