CID 5283322

4,6-heptadienal

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C=C/C=C/CCC=O

InChI

InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2/b4-3+

InChIKey

LRXHBCFIMDSOLD-ONEGZZNKSA-N

Compound name

(4E)-hepta-4,6-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 110.073166 Da
Monoisotopic Mass: 1.4
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]+	111.08044	123.6
[M+Na]+	133.06238	134.7
[M+NH4]+	128.10699	131.5
[M+K]+	149.03632	127.7
[M-H]-	109.06589	123.1
[M+Na-2H]-	131.04783	127.8
[M]+	110.07262	124.8
[M]-	110.07371	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe