CID 110894

6-hydroxy-5-decanone

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCCCC(C(=O)CCCC)O

InChI

InChI=1S/C10H20O2/c1-3-5-7-9(11)10(12)8-6-4-2/h9,11H,3-8H2,1-2H3

InChIKey

ORLDHCIQVZTBQQ-UHFFFAOYSA-N

Compound name

6-hydroxydecan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 89
Patents: 172.14633 Da
Monoisotopic Mass: 2.5
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]+	173.15361	142.2
[M+Na]+	195.13555	150.8
[M+NH4]+	190.18015	148.9
[M+K]+	211.10949	145.8
[M-H]-	171.13905	140.4
[M+Na-2H]-	193.12100	143.9
[M]+	172.14578	142.6
[M]-	172.14688	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe