CID 6644

P-menthane hydroperoxide

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CCC(CC1)C(C)(C)OO

InChI

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

InChIKey

XSZYESUNPWGWFQ-UHFFFAOYSA-N

Compound name

1-(2-hydroperoxypropan-2-yl)-4-methylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10511
Patents: 172.14633 Da
Monoisotopic Mass: 2.8
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	145.2
[M-H]-	171.139054	141.9
[M+NH4]+	190.180153	160.2
[M+K]+	211.109488	144.3
[M+H-H2O]+	155.143590	135.6
[M+HCOO]-	217.144531	157.6
[M+CH3COO]-	231.160181	178.3
[M+Na-2H]-	193.120996	144.6
[M]+	172.14578142	137.3
[M]-	172.14687858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe