CID 5283341

5,7-nonadienal

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C/C=C/C=C/CCCC=O

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h2-5,9H,6-8H2,1H3/b3-2+,5-4+

InChIKey

XBRSZJRHOMYFTA-MQQKCMAXSA-N

Compound name

(5E,7E)-nona-5,7-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.0
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]+	139.11174	130.9
[M+Na]+	161.09368	138.0
[M-H]-	137.09718	130.9
[M+NH4]+	156.13828	152.9
[M+K]+	177.06762	135.8
[M+H-H2O]+	121.10172	126.4
[M+HCOO]-	183.10266	154.7
[M+CH3COO]-	197.11831	174.3
[M+Na-2H]-	159.07913	136.7
[M]+	138.10391	132.6
[M]-	138.10501	132.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.