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: 50
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	124.8
[M+Na]+	171.04165	135.4
[M-H]-	147.04515	129.7
[M+NH4]+	166.08625	147.5
[M+K]+	187.01559	133.7
[M+H-H2O]+	131.04969	120.3
[M+HCOO]-	193.05063	149.7
[M+CH3COO]-	207.06628	140.5
[M+Na-2H]-	169.02710	134.6
[M]+	148.05188	127.9
[M]-	148.05298	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe