CID 87452228

Diethyl peroxydicar-bonate

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

CCOC(=O)OC(=O)OOCC

InChI

InChI=1S/C6H10O6/c1-3-9-5(7)11-6(8)12-10-4-2/h3-4H2,1-2H3

InChIKey

GYSBLMPDMJKYOY-UHFFFAOYSA-N

Compound name

ethoxy ethoxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 178.04774 Da
Monoisotopic Mass: 1.5
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]+	179.055016	133.1
[M+Na]+	201.036958	140.6
[M-H]-	177.040464	133.6
[M+NH4]+	196.081563	153.3
[M+K]+	217.010898	143.0
[M+H-H2O]+	161.045000	128.1
[M+HCOO]-	223.045941	156.9
[M+CH3COO]-	237.061591	176.5
[M+Na-2H]-	199.022406	138.0
[M]+	178.04719142	140.2
[M]-	178.04828858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe