CID 79877

1,1,3,3-tetramethylbutyl hydroperoxide

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CC(C)(C)CC(C)(C)OO

InChI

InChI=1S/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3

InChIKey

MIRQGKQPLPBZQM-UHFFFAOYSA-N

Compound name

2-hydroperoxy-2,4,4-trimethylpentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13317
Patents: 146.13068 Da
Monoisotopic Mass: 2.3
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]+	147.13796	133.9
[M+Na]+	169.11990	143.0
[M+NH4]+	164.16450	141.0
[M+K]+	185.09384	139.4
[M-H]-	145.12340	131.7
[M+Na-2H]-	167.10535	136.8
[M]+	146.13013	134.5
[M]-	146.13123	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe