CID 97985

Tetrahydro((tetrahydrofuryl)methoxy)-2h-pyran

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C1CCOC(C1)OCC2CCCO2

InChI

InChI=1S/C10H18O3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h9-10H,1-8H2

InChIKey

XXNUDHUOMVIIFN-UHFFFAOYSA-N

Compound name

2-(oxolan-2-ylmethoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 43
Patents: 186.1256 Da
Monoisotopic Mass: 1.3
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]+	187.132876	141.2
[M+Na]+	209.114818	144.3
[M-H]-	185.118324	147.5
[M+NH4]+	204.159423	159.3
[M+K]+	225.088758	146.0
[M+H-H2O]+	169.122860	135.2
[M+HCOO]-	231.123801	159.2
[M+CH3COO]-	245.139451	178.0
[M+Na-2H]-	207.100266	145.7
[M]+	186.12505142	138.0
[M]-	186.12614858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe