CID 643731

Trans-2,cis-6-nonadienal

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC/C=C\CC/C=C/C=O

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+

InChIKey

HZYHMHHBBBSGHB-ODYTWBPASA-N

Compound name

(2E,6Z)-nona-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 51
References: 5118
Patents: 138.10446 Da
Monoisotopic Mass: 2.2
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]+	139.111736	130.9
[M+Na]+	161.093678	138.0
[M-H]-	137.097184	130.9
[M+NH4]+	156.138283	152.9
[M+K]+	177.067618	135.8
[M+H-H2O]+	121.101720	126.4
[M+HCOO]-	183.102661	154.7
[M+CH3COO]-	197.118311	174.3
[M+Na-2H]-	159.079126	136.7
[M]+	138.10391142	132.6
[M]-	138.10500858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe