CID 18787422

Benzofuran-7-ylmethanol

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1=CC2=C(C(=C1)CO)OC=C2

InChI

InChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2

InChIKey

CROYZLIPNLVAHM-UHFFFAOYSA-N

Compound name

1-benzofuran-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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	125.3
[M+Na]+	171.04165	139.5
[M+NH4]+	166.08625	135.1
[M+K]+	187.01559	134.9
[M-H]-	147.04515	129.1
[M+Na-2H]-	169.02710	132.5
[M]+	148.05188	128.5
[M]-	148.05298	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe