CID 117329

Menthane, monohydroperoxy derivative

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CCC(C(C1)OO)C(C)C

InChI

InChI=1S/C10H20O2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-11H,4-6H2,1-3H3

InChIKey

OZTWDFWAMMUDHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9349
Patents: 172.14633 Da
Monoisotopic Mass: 3.1
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	140.3
[M+Na]+	195.135548	145.3
[M-H]-	171.139054	142.0
[M+NH4]+	190.180153	160.3
[M+K]+	211.109488	144.5
[M+H-H2O]+	155.143590	135.3
[M+HCOO]-	217.144531	158.1
[M+CH3COO]-	231.160181	180.0
[M+Na-2H]-	193.120996	141.9
[M]+	172.14578142	137.4
[M]-	172.14687858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe