CID 585896

5380-80-3

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1C(C2=CC=CC=C2O1)O

InChI

InChI=1S/C8H8O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7,9H,5H2

InChIKey

KCEBFJYAAKTMFQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1-benzofuran-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 106
Patents: 136.05243 Da
Monoisotopic Mass: 0.8
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]+	137.05971	123.0
[M+Na]+	159.04165	131.8
[M-H]-	135.04515	127.2
[M+NH4]+	154.08625	145.9
[M+K]+	175.01559	130.8
[M+H-H2O]+	119.04969	118.6
[M+HCOO]-	181.05063	145.2
[M+CH3COO]-	195.06628	137.9
[M+Na-2H]-	157.02710	131.4
[M]+	136.05188	122.7
[M]-	136.05298	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe