CID 80043

2-vinyl-1,3-dioxane

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=CC1OCCCO1

InChI

InChI=1S/C6H10O2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2

InChIKey

MBUIVAAHRBEDCW-UHFFFAOYSA-N

Compound name

2-ethenyl-1,3-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 114.06808 Da
Monoisotopic Mass: 0.8
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]+	115.07536	120.9
[M+Na]+	137.05730	126.8
[M-H]-	113.06080	125.2
[M+NH4]+	132.10190	140.7
[M+K]+	153.03124	128.8
[M+H-H2O]+	97.065340	115.9
[M+HCOO]-	159.06628	140.9
[M+CH3COO]-	173.08193	166.6
[M+Na-2H]-	135.04275	129.8
[M]+	114.06753	118.8
[M]-	114.06863	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe