CID 5367530

21662-16-8

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CCCCCCC/C=C/C=C/C=O

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+

InChIKey

QKTZBZWNADPFOL-BNFZFUHLSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 729
Patents: 180.15141 Da
Monoisotopic Mass: 4.3
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]+	181.15869	145.8
[M+Na]+	203.14063	155.9
[M+NH4]+	198.18523	152.9
[M+K]+	219.11457	147.7
[M-H]-	179.14413	145.1
[M+Na-2H]-	201.12608	148.7
[M]+	180.15086	146.8
[M]-	180.15196	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe