CID 6365761

(2e,6e)-2,6-octadienal

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

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

InChI

InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+

InChIKey

CBXNRMOWVZUZQA-BLWKUPHCSA-N

Compound name

(2E,6E)-octa-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 10
References: 375
Patents: 124.08881 Da
Monoisotopic Mass: 1.8
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]+	125.09609	128.2
[M+Na]+	147.07803	139.1
[M+NH4]+	142.12263	135.9
[M+K]+	163.05197	131.9
[M-H]-	123.08153	127.6
[M+Na-2H]-	145.06348	132.1
[M]+	124.08826	129.3
[M]-	124.08936	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe