CID 9845243

Coixinden a

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

COC1=CC2=C(C=C1)C(=O)C=C2OC

InChI

InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3

InChIKey

XYQHDIQOTJVFDF-UHFFFAOYSA-N

Compound name

3,5-dimethoxyinden-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 190.06299 Da
Monoisotopic Mass: 1.6
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]+	191.07027	136.4
[M+Na]+	213.05221	147.3
[M-H]-	189.05571	142.0
[M+NH4]+	208.09681	159.6
[M+K]+	229.02615	145.3
[M+H-H2O]+	173.06025	131.4
[M+HCOO]-	235.06119	161.9
[M+CH3COO]-	249.07684	183.4
[M+Na-2H]-	211.03766	142.4
[M]+	190.06244	141.4
[M]-	190.06354	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe