CID 136353

1,4-dioxene

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1COC=CO1

InChI

InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2

InChIKey

HIZVCIIORGCREW-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-dioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3346
Patents: 86.03678 Da
Monoisotopic Mass: 0.2
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]+	87.044056	111.0
[M+Na]+	109.02600	117.5
[M-H]-	85.029504	115.6
[M+NH4]+	104.07060	131.7
[M+K]+	124.99994	120.4
[M+H-H2O]+	69.034040	106.1
[M+HCOO]-	131.03498	132.9
[M+CH3COO]-	145.05063	159.9
[M+Na-2H]-	107.01145	122.7
[M]+	86.036231	109.9
[M]-	86.037329	109.9

Literature stripe

literature stripe

Patent stripe

patents stripe