CID 145220

90843-31-5

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(=O)C1=CC2=C(C=C1)OCC2

InChI

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

InChIKey

MMVUJVASBDVNGJ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 285
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	131.5
[M+Na]+	185.05730	139.9
[M-H]-	161.06080	136.9
[M+NH4]+	180.10190	153.9
[M+K]+	201.03124	139.2
[M+H-H2O]+	145.06534	126.7
[M+HCOO]-	207.06628	153.8
[M+CH3COO]-	221.08193	177.2
[M+Na-2H]-	183.04275	138.0
[M]+	162.06753	132.4
[M]-	162.06863	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe