CID 543165

5-nonenal

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCC=CCCCC=O

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h4-5,9H,2-3,6-8H2,1H3

InChIKey

OIYLDISFBUJSNS-UHFFFAOYSA-N

Compound name

non-5-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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]+	141.127396	132.4
[M+Na]+	163.109338	139.1
[M-H]-	139.112844	132.3
[M+NH4]+	158.153943	154.3
[M+K]+	179.083278	137.5
[M+H-H2O]+	123.117380	127.8
[M+HCOO]-	185.118321	155.9
[M+CH3COO]-	199.133971	175.9
[M+Na-2H]-	161.094786	138.1
[M]+	140.11957142	134.9
[M]-	140.12066858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe