CID 94090

58506-23-3

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1CCC(CC1O)C(C)(C)O

InChI

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

InChIKey

QTJUHINKPNOAEU-UHFFFAOYSA-N

Compound name

5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 84
Patents: 172.14633 Da
Monoisotopic Mass: 1.4
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]+	173.153606	140.4
[M+Na]+	195.135548	145.8
[M-H]-	171.139054	140.9
[M+NH4]+	190.180153	159.9
[M+K]+	211.109488	144.0
[M+H-H2O]+	155.143590	136.3
[M+HCOO]-	217.144531	156.1
[M+CH3COO]-	231.160181	176.9
[M+Na-2H]-	193.120996	143.6
[M]+	172.14578142	135.9
[M]-	172.14687858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe