CID 85104

4,8-dodecadienedial

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C(CC=CCCC=O)C=CCCC=O

InChI

InChI=1S/C12H18O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6,11-12H,1-2,7-10H2

InChIKey

CIGZZLYQLQLUQO-UHFFFAOYSA-N

Compound name

dodeca-4,8-dienedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 194.13068 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]+	195.137956	146.1
[M+Na]+	217.119898	152.2
[M-H]-	193.123404	145.5
[M+NH4]+	212.164503	165.7
[M+K]+	233.093838	149.0
[M+H-H2O]+	177.127940	140.8
[M+HCOO]-	239.128881	169.3
[M+CH3COO]-	253.144531	184.4
[M+Na-2H]-	215.105346	150.2
[M]+	194.13013142	149.7
[M]-	194.13122858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe