CID 107240

2h-pyran, tetrahydro-2-phenoxy-

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

C1CCOC(C1)OC2=CC=CC=C2

InChI

InChI=1S/C11H14O2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-3,6-7,11H,4-5,8-9H2

InChIKey

SHRDVLUJLDYXSO-UHFFFAOYSA-N

Compound name

2-phenoxyoxane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 987
Patents: 178.09938 Da
Monoisotopic Mass: 2.8
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]+	179.10666	136.9
[M+Na]+	201.08860	141.8
[M-H]-	177.09210	143.4
[M+NH4]+	196.13320	155.1
[M+K]+	217.06254	141.4
[M+H-H2O]+	161.09664	130.0
[M+HCOO]-	223.09758	157.6
[M+CH3COO]-	237.11323	178.1
[M+Na-2H]-	199.07405	144.6
[M]+	178.09883	134.1
[M]-	178.09993	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe