CID 20265042

1000548-28-6

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1=CC2=C(C=CO2)C=C1CCO

InChI

InChI=1S/C10H10O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,11H,3,5H2

InChIKey

DHMMVORZGKYTQM-UHFFFAOYSA-N

Compound name

2-(1-benzofuran-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 162.06808 Da
Monoisotopic Mass: 1.9
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]+	163.07536	129.7
[M+Na]+	185.05730	139.8
[M-H]-	161.06080	134.4
[M+NH4]+	180.10190	151.8
[M+K]+	201.03124	137.9
[M+H-H2O]+	145.06534	125.0
[M+HCOO]-	207.06628	154.2
[M+CH3COO]-	221.08193	174.0
[M+Na-2H]-	183.04275	138.9
[M]+	162.06753	133.1
[M]-	162.06863	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe