CID 559139

Octahydro-2,2'-bi-2h-pyran

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CCOC(C1)C2CCCCO2

InChI

InChI=1S/C10H18O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h9-10H,1-8H2

InChIKey

MGYAGUUKOYNYAT-UHFFFAOYSA-N

Compound name

2-(oxan-2-yl)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 170.13068 Da
Monoisotopic Mass: 1.8
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]+	171.13796	138.2
[M+Na]+	193.11990	140.4
[M-H]-	169.12340	144.4
[M+NH4]+	188.16450	155.1
[M+K]+	209.09384	141.8
[M+H-H2O]+	153.12794	131.6
[M+HCOO]-	215.12888	153.9
[M+CH3COO]-	229.14453	176.4
[M+Na-2H]-	191.10535	144.2
[M]+	170.13013	131.4
[M]-	170.13123	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe