CID 11116304

68366-16-5

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)CC1(CCCCC1)O

InChI

InChI=1S/C10H20O/c1-9(2)8-10(11)6-4-3-5-7-10/h9,11H,3-8H2,1-2H3

InChIKey

BJROFNGVAGISIW-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 156.15141 Da
Monoisotopic Mass: 2.9
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]+	157.158686	138.4
[M+Na]+	179.140628	142.5
[M-H]-	155.144134	139.8
[M+NH4]+	174.185233	160.5
[M+K]+	195.114568	141.4
[M+H-H2O]+	139.148670	133.9
[M+HCOO]-	201.149611	156.0
[M+CH3COO]-	215.165261	175.3
[M+Na-2H]-	177.126076	142.4
[M]+	156.15086142	133.5
[M]-	156.15195858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe