CID 3035689

Hydroperoxydiethyl peroxide

Structural Information

Molecular Formula

C₄H₁₀O₄

SMILES

CCOOC(C)OO

InChI

InChI=1S/C4H10O4/c1-3-6-8-4(2)7-5/h4-5H,3H2,1-2H3

InChIKey

PKLRNOIIJPCHSR-UHFFFAOYSA-N

Compound name

1-ethylperoxy-1-hydroperoxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 122.05791 Da
Monoisotopic Mass: 0.4
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]+	123.06519	122.1
[M+Na]+	145.04713	129.4
[M-H]-	121.05063	121.3
[M+NH4]+	140.09173	143.8
[M+K]+	161.02107	131.1
[M+H-H2O]+	105.05517	117.7
[M+HCOO]-	167.05611	145.0
[M+CH3COO]-	181.07176	167.3
[M+Na-2H]-	143.03258	128.5
[M]+	122.05736	125.9
[M]-	122.05846	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe