CID 5283321

(2e,4e)-hepta-2,4-dienal

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

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

InChI

InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+

InChIKey

SATICYYAWWYRAM-VNKDHWASSA-N

Compound name

(2E,4E)-hepta-2,4-dienal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 48
References: 2851
Patents: 110.073166 Da
Monoisotopic Mass: 1.6
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	123.8
[M+Na]+	133.06238	134.9
[M+NH4]+	128.10699	131.7
[M+K]+	149.03632	127.9
[M-H]-	109.06589	123.2
[M+Na-2H]-	131.04783	127.9
[M]+	110.07262	124.9
[M]-	110.07371	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe