CID 112065

4-cyclohexylbutan-2-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(CCC1CCCCC1)O

InChI

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

InChIKey

ZBLQQRZVKHLRBF-UHFFFAOYSA-N

Compound name

4-cyclohexylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 175
Patents: 156.15141 Da
Monoisotopic Mass: 3.4
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]+	157.15869	137.9
[M+Na]+	179.14063	147.6
[M+NH4]+	174.18523	146.8
[M+K]+	195.11457	141.4
[M-H]-	155.14413	139.6
[M+Na-2H]-	177.12608	142.3
[M]+	156.15086	139.5
[M]-	156.15196	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe