CID 277081

5-hydroxycyclooctanone

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CC(CCCC(=O)C1)O

InChI

InChI=1S/C8H14O2/c9-7-3-1-4-8(10)6-2-5-7/h7,9H,1-6H2

InChIKey

HUNLAYAAWSTPQY-UHFFFAOYSA-N

Compound name

5-hydroxycyclooctan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 142.09938 Da
Monoisotopic Mass: 0.5
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]+	143.10666	136.4
[M+Na]+	165.08860	139.8
[M+NH4]+	160.13320	139.3
[M+K]+	181.06254	139.6
[M-H]-	141.09210	137.0
[M+Na-2H]-	163.07405	139.6
[M]+	142.09883	136.9
[M]-	142.09993	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe