CID 4584270

2-octyloxytetrahydro-2h-pyran

Structural Information

Molecular Formula

C₁₃H₂₆O₂

SMILES

CCCCCCCCOC1CCCCO1

InChI

InChI=1S/C13H26O2/c1-2-3-4-5-6-8-11-14-13-10-7-9-12-15-13/h13H,2-12H2,1H3

InChIKey

YGDANXKCMJFKDT-UHFFFAOYSA-N

Compound name

2-octoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 214.19328 Da
Monoisotopic Mass: 4.4
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]+	215.20056	154.5
[M+Na]+	237.18250	157.1
[M-H]-	213.18600	156.8
[M+NH4]+	232.22710	171.6
[M+K]+	253.15644	156.8
[M+H-H2O]+	197.19054	147.8
[M+HCOO]-	259.19148	172.9
[M+CH3COO]-	273.20713	188.5
[M+Na-2H]-	235.16795	158.5
[M]+	214.19273	155.0
[M]-	214.19383	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe