CID 26068

2-tert-butylcyclohexanol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)(C)C1CCCCC1O

InChI

InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3

InChIKey

DLTWBMHADAJAAZ-UHFFFAOYSA-N

Compound name

2-tert-butylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2203
Patents: 156.15141 Da
Monoisotopic Mass: 3.0
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]+	157.15869	136.9
[M+Na]+	179.14063	147.1
[M+NH4]+	174.18523	145.8
[M+K]+	195.11457	141.6
[M-H]-	155.14413	138.3
[M+Na-2H]-	177.12608	141.5
[M]+	156.15086	138.7
[M]-	156.15196	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe