CID 13411468

2-cyclooctylethan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

C1CCCC(CCC1)CCO

InChI

InChI=1S/C10H20O/c11-9-8-10-6-4-2-1-3-5-7-10/h10-11H,1-9H2

InChIKey

RKASTVFCFAUCIG-UHFFFAOYSA-N

Compound name

2-cyclooctylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 156.15141 Da
Monoisotopic Mass: 3.7
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	143.6
[M+Na]+	179.14063	147.0
[M-H]-	155.14413	144.4
[M+NH4]+	174.18523	152.7
[M+K]+	195.11457	147.4
[M+H-H2O]+	139.14867	140.4
[M+HCOO]-	201.14961	151.9
[M+CH3COO]-	215.16526	218.5
[M+Na-2H]-	177.12608	144.0
[M]+	156.15086	141.2
[M]-	156.15196	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe