CID 138185

Hydroperoxide, hexyl

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCCCCCOO

InChI

InChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3

InChIKey

RZICEOJUAFHYFO-UHFFFAOYSA-N

Compound name

1-hydroperoxyhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1117
Patents: 118.09938 Da
Monoisotopic Mass: 1.9
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]+	119.106656	125.5
[M+Na]+	141.088598	132.3
[M-H]-	117.092104	124.3
[M+NH4]+	136.133203	147.6
[M+K]+	157.062538	132.2
[M+H-H2O]+	101.096640	121.2
[M+HCOO]-	163.097581	148.3
[M+CH3COO]-	177.113231	168.5
[M+Na-2H]-	139.074046	132.1
[M]+	118.09883142	127.8
[M]-	118.09992858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe