CID 233148

6-hydroxy-5-methoxy-1-indanone

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=C(C=C2C(=C1)CCC2=O)O

InChI

InChI=1S/C10H10O3/c1-13-10-4-6-2-3-8(11)7(6)5-9(10)12/h4-5,12H,2-3H2,1H3

InChIKey

FEUMSMHGLKFCLZ-UHFFFAOYSA-N

Compound name

6-hydroxy-5-methoxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 178.06299 Da
Monoisotopic Mass: 1.3
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]+	179.07027	134.9
[M+Na]+	201.05221	147.0
[M+NH4]+	196.09681	143.7
[M+K]+	217.02615	143.0
[M-H]-	177.05571	136.3
[M+Na-2H]-	199.03766	139.4
[M]+	178.06244	136.8
[M]-	178.06354	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe