CID 4962333

1-(1-benzofuran-2-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(C1=CC2=CC=CC=C2O1)O

InChI

InChI=1S/C10H10O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3

InChIKey

SCLFEKBHGKCUPA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
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	130.5
[M+Na]+	185.05730	140.2
[M-H]-	161.06080	135.2
[M+NH4]+	180.10190	152.5
[M+K]+	201.03124	138.8
[M+H-H2O]+	145.06534	125.8
[M+HCOO]-	207.06628	153.9
[M+CH3COO]-	221.08193	174.8
[M+Na-2H]-	183.04275	138.4
[M]+	162.06753	133.2
[M]-	162.06863	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe