CID 62472

Ethyl hydroperoxide

Structural Information

Molecular Formula

C₂H₆O₂

SMILES

CCOO

InChI

InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3

InChIKey

ILHIHKRJJMKBEE-UHFFFAOYSA-N

Compound name

hydroperoxyethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 14112
Patents: 62.03678 Da
Monoisotopic Mass: 0.0
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]+	63.044056	106.8
[M+Na]+	85.025998	115.3
[M-H]-	61.029504	106.4
[M+NH4]+	80.070603	131.1
[M+K]+	100.99994	116.3
[M+H-H2O]+	45.034040	103.4
[M+HCOO]-	107.03498	131.0
[M+CH3COO]-	121.05063	156.3
[M+Na-2H]-	83.011446	115.7
[M]+	62.036231	107.6
[M]-	62.037329	107.6

Literature stripe

literature stripe

Patent stripe

patents stripe