CID 161998

8-nonenal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C=CCCCCCCC=O

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,9H,1,3-8H2

InChIKey

QPOZUISHEWOWQL-UHFFFAOYSA-N

Compound name

non-8-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 345
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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]+	141.12740	132.9
[M+Na]+	163.10934	143.5
[M+NH4]+	158.15394	140.8
[M+K]+	179.08328	136.2
[M-H]-	139.11284	132.5
[M+Na-2H]-	161.09479	136.7
[M]+	140.11957	134.1
[M]-	140.12067	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe