CID 642100

2-(furan-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

C1=COC=C1CCO

InChI

InChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2

InChIKey

XXBVEGKVQYREKW-UHFFFAOYSA-N

Compound name

2-(furan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 112.05243 Da
Monoisotopic Mass: 0.6
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]+	113.05971	119.0
[M+Na]+	135.04165	127.2
[M-H]-	111.04515	122.1
[M+NH4]+	130.08625	141.6
[M+K]+	151.01559	127.3
[M+H-H2O]+	95.049690	114.5
[M+HCOO]-	157.05063	143.3
[M+CH3COO]-	171.06628	163.6
[M+Na-2H]-	133.02710	127.1
[M]+	112.05188	120.1
[M]-	112.05298	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe