CID 10329884

2-phenyloxan-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: 15
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]+	179.106656	137.4
[M+Na]+	201.088598	142.8
[M-H]-	177.092104	142.9
[M+NH4]+	196.133203	155.1
[M+K]+	217.062538	141.4
[M+H-H2O]+	161.096640	131.0
[M+HCOO]-	223.097581	156.5
[M+CH3COO]-	237.113231	176.5
[M+Na-2H]-	199.074046	143.9
[M]+	178.09883142	133.1
[M]-	178.09992858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe