CID 107243

4208-64-4

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

CC(C1=CC=CO1)O

InChI

InChI=1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3

InChIKey

UABXUIWIFUZYQK-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 887
Patents: 112.05243 Da
Monoisotopic Mass: 0.5
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]+	113.05971	119.8
[M+Na]+	135.04165	127.7
[M-H]-	111.04515	123.0
[M+NH4]+	130.08625	142.3
[M+K]+	151.01559	128.3
[M+H-H2O]+	95.049690	115.3
[M+HCOO]-	157.05063	143.1
[M+CH3COO]-	171.06628	164.5
[M+Na-2H]-	133.02710	126.6
[M]+	112.05188	120.2
[M]-	112.05298	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe