CID 102718

2-(hexyloxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCCCOC1CCCCO1

InChI

InChI=1S/C11H22O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h11H,2-10H2,1H3

InChIKey

LMUWFXQGRIPPJK-UHFFFAOYSA-N

Compound name

2-hexoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 79
Patents: 186.16199 Da
Monoisotopic Mass: 3.3
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]+	187.16927	145.3
[M+Na]+	209.15121	148.7
[M-H]-	185.15471	147.9
[M+NH4]+	204.19581	163.5
[M+K]+	225.12515	149.0
[M+H-H2O]+	169.15925	139.0
[M+HCOO]-	231.16019	164.3
[M+CH3COO]-	245.17584	182.5
[M+Na-2H]-	207.13666	150.4
[M]+	186.16144	145.1
[M]-	186.16254	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe