CID 12766

Cyclooctanol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

C1CCCC(CCC1)O

InChI

InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2

InChIKey

FHADSMKORVFYOS-UHFFFAOYSA-N

Compound name

cyclooctanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 10794
Patents: 128.12012 Da
Monoisotopic Mass: 1.6
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]+	129.12740	134.0
[M+Na]+	151.10934	137.4
[M+NH4]+	146.15394	137.1
[M+K]+	167.08328	137.1
[M-H]-	127.11284	134.7
[M+Na-2H]-	149.09479	137.6
[M]+	128.11957	134.5
[M]-	128.12067	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe