CID 11147747

1,3-dihydroisobenzofuran-5-ol

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1C2=C(CO1)C=C(C=C2)O

InChI

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

InChIKey

OMVUEHUKKCOJTN-UHFFFAOYSA-N

Compound name

1,3-dihydro-2-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
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	123.5
[M+Na]+	159.04165	136.1
[M+NH4]+	154.08625	133.4
[M+K]+	175.01559	132.1
[M-H]-	135.04515	127.0
[M+Na-2H]-	157.02710	129.2
[M]+	136.05188	126.3
[M]-	136.05298	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe