CID 261532

2,6-diethoxytetrahydropyran

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CCOC1CCCC(O1)OCC

InChI

InChI=1S/C9H18O3/c1-3-10-8-6-5-7-9(12-8)11-4-2/h8-9H,3-7H2,1-2H3

InChIKey

BIQXDHHBTSGBPW-UHFFFAOYSA-N

Compound name

2,6-diethoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 50
Patents: 174.1256 Da
Monoisotopic Mass: 1.7
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]+	175.132876	138.4
[M+Na]+	197.114818	143.6
[M-H]-	173.118324	141.8
[M+NH4]+	192.159423	157.4
[M+K]+	213.088758	144.9
[M+H-H2O]+	157.122860	132.6
[M+HCOO]-	219.123801	158.4
[M+CH3COO]-	233.139451	179.6
[M+Na-2H]-	195.100266	144.0
[M]+	174.12505142	139.4
[M]-	174.12614858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe