CID 12741

2-decanone

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCCCCCC(=O)C

InChI

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

InChIKey

ZAJNGDIORYACQU-UHFFFAOYSA-N

Compound name

decan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 55
References: 10948
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	138.4
[M+Na]+	179.14063	148.4
[M+NH4]+	174.18523	146.2
[M+K]+	195.11457	141.7
[M-H]-	155.14413	138.0
[M+Na-2H]-	177.12608	141.6
[M]+	156.15086	139.5
[M]-	156.15196	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe