CID 4547491

4-methoxy-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

COC1=CC=CC2=C1CCC2=O

InChI

InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3

InChIKey

BTYSYELHQDGJAB-UHFFFAOYSA-N

Compound name

4-methoxy-2,3-dihydroinden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 413
Patents: 162.06808 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]+	163.07536	130.8
[M+Na]+	185.05730	140.3
[M-H]-	161.06080	135.9
[M+NH4]+	180.10190	154.9
[M+K]+	201.03124	138.2
[M+H-H2O]+	145.06534	126.0
[M+HCOO]-	207.06628	155.0
[M+CH3COO]-	221.08193	177.5
[M+Na-2H]-	183.04275	137.0
[M]+	162.06753	132.2
[M]-	162.06863	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe