CID 11254

2,2'-bioxirane

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1C(O1)C2CO2

InChI

InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChIKey

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Compound name

2-(oxiran-2-yl)oxirane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 497
References: 10529
Patents: 86.03678 Da
Monoisotopic Mass: -0.5
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	126.8
[M+Na]+	109.02600	135.7
[M-H]-	85.029504	135.9
[M+NH4]+	104.07060	136.6
[M+K]+	124.99994	138.4
[M+H-H2O]+	69.034040	120.5
[M+HCOO]-	131.03498	146.8
[M+CH3COO]-	145.05063	178.1
[M+Na-2H]-	107.01145	134.9
[M]+	86.036231	132.2
[M]-	86.037329	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe