CID 18610

Dipropionyl peroxide

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CCC(=O)OOC(=O)CC

InChI

InChI=1S/C6H10O4/c1-3-5(7)9-10-6(8)4-2/h3-4H2,1-2H3

InChIKey

KOPQZJAYZFAPBC-UHFFFAOYSA-N

Compound name

propanoyl propaneperoxoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7652
Patents: 146.0579 Da
Monoisotopic Mass: 1.1
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]+	147.06518	128.1
[M+Na]+	169.04712	135.7
[M-H]-	145.05062	128.7
[M+NH4]+	164.09172	149.7
[M+K]+	185.02106	137.1
[M+H-H2O]+	129.05516	123.6
[M+HCOO]-	191.05610	151.4
[M+CH3COO]-	205.07175	173.0
[M+Na-2H]-	167.03257	132.9
[M]+	146.05735	132.4
[M]-	146.05845	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe