CID 10329884

2-phenyltetrahydro-2h-pyran-4-ol

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1COC(CC1O)C2=CC=CC=C2

InChI

InChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

VPXLNWRTGPPGRS-UHFFFAOYSA-N

Compound name

2-phenyloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 178.09938 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]+	179.10666	138.2
[M+Na]+	201.08860	151.3
[M+NH4]+	196.13320	147.6
[M+K]+	217.06254	144.7
[M-H]-	177.09210	143.8
[M+Na-2H]-	199.07405	145.9
[M]+	178.09883	141.6
[M]-	178.09993	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe