CID 162392

9-decenal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C=CCCCCCCCC=O

InChI

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2

InChIKey

AKMSQWLDTSOVME-UHFFFAOYSA-N

Compound name

dec-9-enal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 1800
Patents: 154.13577 Da
Monoisotopic Mass: 3.3
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]+	155.143046	136.8
[M+Na]+	177.124988	143.0
[M-H]-	153.128494	136.5
[M+NH4]+	172.169593	158.1
[M+K]+	193.098928	141.1
[M+H-H2O]+	137.133030	131.9
[M+HCOO]-	199.133971	160.0
[M+CH3COO]-	213.149621	179.6
[M+Na-2H]-	175.110436	142.0
[M]+	154.13522142	139.8
[M]-	154.13631858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe