CID 18787449

209256-42-8

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1COC2=CC=CC(=C21)C=O

InChI

InChI=1S/C9H8O2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3,6H,4-5H2

InChIKey

MKWRRGVTYBMERJ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1-benzofuran-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 148.05243 Da
Monoisotopic Mass: 1.4
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]+	149.05971	126.0
[M+Na]+	171.04165	135.2
[M-H]-	147.04515	131.5
[M+NH4]+	166.08625	149.1
[M+K]+	187.01559	134.2
[M+H-H2O]+	131.04969	121.3
[M+HCOO]-	193.05063	149.6
[M+CH3COO]-	207.06628	173.3
[M+Na-2H]-	169.02710	134.3
[M]+	148.05188	127.2
[M]-	148.05298	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe