CID 538497

Refchem:1087026

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(=C)C1CCC(C=C1)(C)OO

InChI

InChI=1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3

InChIKey

LCOVCELWSKTKHX-UHFFFAOYSA-N

Compound name

3-hydroperoxy-3-methyl-6-prop-1-en-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 168.11504 Da
Monoisotopic Mass: 2.4
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]+	169.122316	136.9
[M+Na]+	191.104258	143.3
[M-H]-	167.107764	139.0
[M+NH4]+	186.148863	158.8
[M+K]+	207.078198	141.9
[M+H-H2O]+	151.112300	132.6
[M+HCOO]-	213.113241	156.4
[M+CH3COO]-	227.128891	177.1
[M+Na-2H]-	189.089706	141.4
[M]+	168.11449142	134.7
[M]-	168.11558858	134.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.