CID 89378

2-methoxy-1,4-dioxane

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

COC1COCCO1

InChI

InChI=1S/C5H10O3/c1-6-5-4-7-2-3-8-5/h5H,2-4H2,1H3

InChIKey

LCQZTTHYFOMGKL-UHFFFAOYSA-N

Compound name

2-methoxy-1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 118.062996 Da
Monoisotopic Mass: -0.3
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]+	119.070272	120.4
[M+Na]+	141.052214	126.4
[M-H]-	117.055720	124.9
[M+NH4]+	136.096819	140.1
[M+K]+	157.026154	129.7
[M+H-H2O]+	101.060256	115.3
[M+HCOO]-	163.061197	140.8
[M+CH3COO]-	177.076847	166.4
[M+Na-2H]-	139.037662	129.9
[M]+	118.06244742	120.2
[M]-	118.06354458	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe