CID 19867397

78-58-0

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)C1CCC(CC1)(C)OO

InChI

InChI=1S/C10H20O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h8-9,11H,4-7H2,1-3H3

InChIKey

SGYLMBSLEMLUSN-UHFFFAOYSA-N

Compound name

1-hydroperoxy-1-methyl-4-propan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 172.14633 Da
Monoisotopic Mass: 2.6
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]+	173.153606	140.4
[M+Na]+	195.135548	145.4
[M-H]-	171.139054	142.1
[M+NH4]+	190.180153	162.1
[M+K]+	211.109488	144.9
[M+H-H2O]+	155.143590	136.0
[M+HCOO]-	217.144531	158.2
[M+CH3COO]-	231.160181	178.4
[M+Na-2H]-	193.120996	143.8
[M]+	172.14578142	137.4
[M]-	172.14687858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe