CID 75477

Cyclohexanol, 1,1'-dioxybis-

Structural Information

Molecular Formula

C₁₂H₂₂O₄

SMILES

C1CCC(CC1)(O)OOC2(CCCCC2)O

InChI

InChI=1S/C12H22O4/c13-11(7-3-1-4-8-11)15-16-12(14)9-5-2-6-10-12/h13-14H,1-10H2

InChIKey

ZPOUDMYDJJMHOO-UHFFFAOYSA-N

Compound name

1-(1-hydroxycyclohexyl)peroxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 914
Patents: 230.15181 Da
Monoisotopic Mass: 2.2
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]+	231.15909	155.4
[M+Na]+	253.14103	163.3
[M+NH4]+	248.18563	165.8
[M+K]+	269.11497	154.6
[M-H]-	229.14453	157.3
[M+Na-2H]-	251.12648	162.2
[M]+	230.15126	157.0
[M]-	230.15236	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe