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

5
Annotation Hits: 0
References: 1965
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]+	155.14305	136.8
[M+Na]+	177.12499	143.0
[M-H]-	153.12849	136.5
[M+NH4]+	172.16959	158.1
[M+K]+	193.09893	141.1
[M+H-H2O]+	137.13303	131.9
[M+HCOO]-	199.13397	160.0
[M+CH3COO]-	213.14962	179.6
[M+Na-2H]-	175.11044	142.0
[M]+	154.13522	139.8
[M]-	154.13632	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe