CID 297361

2139-44-8

Structural Information

Molecular Formula

C₁₆H₂₂O₄

SMILES

C1CCOC(C1)OC2=CC=C(C=C2)OC3CCCCO3

InChI

InChI=1S/C16H22O4/c1-3-11-17-15(5-1)19-13-7-9-14(10-8-13)20-16-6-2-4-12-18-16/h7-10,15-16H,1-6,11-12H2

InChIKey

RMWYEXHGOAQKOS-UHFFFAOYSA-N

Compound name

2-[4-(oxan-2-yloxy)phenoxy]oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 278.1518 Da
Monoisotopic Mass: 3.6
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]+	279.15908	163.8
[M+Na]+	301.14102	165.6
[M-H]-	277.14452	172.8
[M+NH4]+	296.18562	175.8
[M+K]+	317.11496	166.1
[M+H-H2O]+	261.14906	154.9
[M+HCOO]-	323.15000	179.2
[M+CH3COO]-	337.16565	195.8
[M+Na-2H]-	299.12647	168.1
[M]+	278.15125	159.6
[M]-	278.15235	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe