CID 21224078

87776-76-9

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1COC2=C1C=C(C=C2)CCO

InChI

InChI=1S/C10H12O2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7,11H,3-6H2

InChIKey

IPSIYKHOHYJGMO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 164.08372 Da
Monoisotopic Mass: 1.5
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	132.6
[M+Na]+	187.072938	140.5
[M-H]-	163.076444	136.4
[M+NH4]+	182.117543	154.3
[M+K]+	203.046878	139.0
[M+H-H2O]+	147.080980	127.8
[M+HCOO]-	209.081921	154.1
[M+CH3COO]-	223.097571	174.5
[M+Na-2H]-	185.058386	139.8
[M]+	164.08317142	133.0
[M]-	164.08426858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe