CID 44256564

4e,8-nonadienal

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C=CCC/C=C/CCC=O

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h2,5-6,9H,1,3-4,7-8H2/b6-5+

InChIKey

ISNGFCODFAPWPE-AATRIKPKSA-N

Compound name

(4E)-nona-4,8-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	130.7
[M+Na]+	161.09368	137.7
[M-H]-	137.09718	130.6
[M+NH4]+	156.13828	152.6
[M+K]+	177.06762	135.5
[M+H-H2O]+	121.10172	126.2
[M+HCOO]-	183.10266	154.4
[M+CH3COO]-	197.11831	175.0
[M+Na-2H]-	159.07913	136.5
[M]+	138.10391	132.5
[M]-	138.10501	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe