CID 76582

2-ethylbenzofuran

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

CCC1=CC2=CC=CC=C2O1

InChI

InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

InChIKey

KJHYAEZMOHLVCH-UHFFFAOYSA-N

Compound name

2-ethyl-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 768
Patents: 146.07317 Da
Monoisotopic Mass: 3.2
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]+	147.08045	125.9
[M+Na]+	169.06239	136.5
[M-H]-	145.06589	131.9
[M+NH4]+	164.10699	149.4
[M+K]+	185.03633	135.0
[M+H-H2O]+	129.07043	121.1
[M+HCOO]-	191.07137	151.7
[M+CH3COO]-	205.08702	141.9
[M+Na-2H]-	167.04784	135.6
[M]+	146.07262	129.6
[M]-	146.07372	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe