CID 31275

1,4-dioxane

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

C1COCCO1

InChI

InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

Compound name

1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1872
References: 115268
Patents: 88.05243 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]+	89.059706	113.9
[M+Na]+	111.04165	125.6
[M+NH4]+	106.08625	123.5
[M+K]+	127.01559	120.7
[M-H]-	87.045154	118.6
[M+Na-2H]-	109.02710	119.7
[M]+	88.051881	116.8
[M]-	88.052979	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe