CID 12216029

Peroxide, dipentyl

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCCCCOOCCCCC

InChI

InChI=1S/C10H22O2/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

ZKEUVTROUPQVTM-UHFFFAOYSA-N

Compound name

1-pentylperoxypentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10956
Patents: 174.16199 Da
Monoisotopic Mass: 3.7
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]+	175.169266	143.2
[M+Na]+	197.151208	148.8
[M-H]-	173.154714	142.8
[M+NH4]+	192.195813	163.8
[M+K]+	213.125148	148.6
[M+H-H2O]+	157.159250	137.9
[M+HCOO]-	219.160191	166.2
[M+CH3COO]-	233.175841	183.4
[M+Na-2H]-	195.136656	148.2
[M]+	174.16144142	149.0
[M]-	174.16253858	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe