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: 123
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]+	165.09100	132.8
[M+Na]+	187.07294	144.9
[M+NH4]+	182.11754	142.3
[M+K]+	203.04688	140.4
[M-H]-	163.07644	136.1
[M+Na-2H]-	185.05839	137.8
[M]+	164.08317	135.4
[M]-	164.08427	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe