CID 119925

Hydroperoxide, 2,6,6-trimethylbicyclo(3.1.1)hept-2-yl

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CC(C2CC1C2(C)C)OO

InChI

InChI=1S/C10H18O2/c1-6-4-9(12-11)8-5-7(6)10(8,2)3/h6-9,11H,4-5H2,1-3H3

InChIKey

ORRVPSGGVIRRTF-UHFFFAOYSA-N

Compound name

2-hydroperoxy-4,6,6-trimethylbicyclo[3.1.1]heptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 170.13068 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]+	171.137956	148.2
[M+Na]+	193.119898	154.3
[M-H]-	169.123404	146.7
[M+NH4]+	188.164503	168.2
[M+K]+	209.093838	155.4
[M+H-H2O]+	153.127940	140.8
[M+HCOO]-	215.128881	160.2
[M+CH3COO]-	229.144531	187.4
[M+Na-2H]-	191.105346	156.5
[M]+	170.13013142	160.1
[M]-	170.13122858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe