CID 43753529

1-(2,3-dihydro-1-benzofuran-5-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC(C1=CC2=C(C=C1)OCC2)O

InChI

InChI=1S/C10H12O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6-7,11H,4-5H2,1H3

InChIKey

WCRSIAJZAWLIAS-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 164.08372 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]+	165.090996	133.3
[M+Na]+	187.072938	141.0
[M-H]-	163.076444	137.3
[M+NH4]+	182.117543	155.0
[M+K]+	203.046878	139.9
[M+H-H2O]+	147.080980	128.7
[M+HCOO]-	209.081921	153.9
[M+CH3COO]-	223.097571	175.4
[M+Na-2H]-	185.058386	139.3
[M]+	164.08317142	133.1
[M]-	164.08426858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe