CID 61175

Diethyl peroxide

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CCOOCC

InChI

InChI=1S/C4H10O2/c1-3-5-6-4-2/h3-4H2,1-2H3

InChIKey

RHMZKSWPMYAOAZ-UHFFFAOYSA-N

Compound name

ethylperoxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 5149
Patents: 90.06808 Da
Monoisotopic Mass: 0.9
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]+	91.075356	115.2
[M+Na]+	113.05730	123.3
[M-H]-	89.060804	115.9
[M+NH4]+	108.10190	139.2
[M+K]+	129.03124	124.7
[M+H-H2O]+	73.065340	111.2
[M+HCOO]-	135.06628	140.2
[M+CH3COO]-	149.08193	165.2
[M+Na-2H]-	111.04275	123.6
[M]+	90.067531	118.7
[M]-	90.068629	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe