CID 171530

1-decen-3-one

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCCCC(=O)C=C

InChI

InChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h4H,2-3,5-9H2,1H3

InChIKey

XTDXBZMKUMZNMH-UHFFFAOYSA-N

Compound name

dec-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 262
Patents: 154.13577 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]+	155.14305	137.3
[M+Na]+	177.12499	143.3
[M-H]-	153.12849	137.1
[M+NH4]+	172.16959	158.6
[M+K]+	193.09893	141.8
[M+H-H2O]+	137.13303	132.5
[M+HCOO]-	199.13397	159.5
[M+CH3COO]-	213.14962	180.4
[M+Na-2H]-	175.11044	141.2
[M]+	154.13522	139.6
[M]-	154.13632	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe