CID 14763395

127399-78-4

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=C(C=C2CCC(=O)C2=C1)O

InChI

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

InChIKey

ACECGHQDQWBTBM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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	133.9
[M+Na]+	201.05221	143.8
[M-H]-	177.05571	137.9
[M+NH4]+	196.09681	156.8
[M+K]+	217.02615	141.2
[M+H-H2O]+	161.06025	129.4
[M+HCOO]-	223.06119	156.7
[M+CH3COO]-	237.07684	178.2
[M+Na-2H]-	199.03766	139.0
[M]+	178.06244	135.2
[M]-	178.06354	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe