CID 75911

Cyclohexylidene hydroperoxide

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

C1CCC(CC1)(OO)OO

InChI

InChI=1S/C6H12O4/c7-9-6(10-8)4-2-1-3-5-6/h7-8H,1-5H2

InChIKey

KYDNMMZJQGVHQM-UHFFFAOYSA-N

Compound name

1,1-dihydroperoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 148.07356 Da
Monoisotopic Mass: 0.7
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]+	149.08084	129.5
[M+Na]+	171.06278	135.0
[M-H]-	147.06628	129.9
[M+NH4]+	166.10738	151.0
[M+K]+	187.03672	134.9
[M+H-H2O]+	131.07082	125.2
[M+HCOO]-	193.07176	148.5
[M+CH3COO]-	207.08741	165.8
[M+Na-2H]-	169.04823	136.6
[M]+	148.07301	126.4
[M]-	148.07411	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe