CID 13175

Decan-5-one

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCC(=O)CCCC

InChI

InChI=1S/C10H20O/c1-3-5-7-9-10(11)8-6-4-2/h3-9H2,1-2H3

InChIKey

JDPQWHLMBJZURR-UHFFFAOYSA-N

Compound name

decan-5-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2119
Patents: 156.15141 Da
Monoisotopic Mass: 3.2
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]+	157.158686	139.1
[M+Na]+	179.140628	144.8
[M-H]-	155.144134	138.8
[M+NH4]+	174.185233	160.3
[M+K]+	195.114568	143.9
[M+H-H2O]+	139.148670	134.2
[M+HCOO]-	201.149611	161.0
[M+CH3COO]-	215.165261	181.3
[M+Na-2H]-	177.126076	142.9
[M]+	156.15086142	142.0
[M]-	156.15195858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe