CID 69874

2-phenyl-1,3-dioxane

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1COC(OC1)C2=CC=CC=C2

InChI

InChI=1S/C10H12O2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2

InChIKey

LNEMDIUSUQPKIP-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 485
Patents: 164.08372 Da
Monoisotopic Mass: 1.7
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]+	165.09100	133.6
[M+Na]+	187.07294	147.5
[M+NH4]+	182.11754	143.4
[M+K]+	203.04688	140.9
[M-H]-	163.07644	141.0
[M+Na-2H]-	185.05839	141.9
[M]+	164.08317	137.8
[M]-	164.08427	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe