CID 10606895

(1-benzofuran-4-yl)methanol

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1=CC(=C2C=COC2=C1)CO

InChI

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

InChIKey

BHADIJRAIKDJNE-UHFFFAOYSA-N

Compound name

1-benzofuran-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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]+	149.059706	124.8
[M+Na]+	171.041648	135.4
[M-H]-	147.045154	129.7
[M+NH4]+	166.086253	147.5
[M+K]+	187.015588	133.7
[M+H-H2O]+	131.049690	120.3
[M+HCOO]-	193.050631	149.7
[M+CH3COO]-	207.066281	140.5
[M+Na-2H]-	169.027096	134.6
[M]+	148.05188142	127.9
[M]-	148.05297858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe