CID 6430759

2-trans-6-cis-dodecadienal

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CCCCC/C=C\CC/C=C/C=O

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+

InChIKey

VPEGROOEBNSCCL-JFEAUALZSA-N

Compound name

(2E,6Z)-dodeca-2,6-dienal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 194
Patents: 180.15141 Da
Monoisotopic Mass: 3.8
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]+	181.158686	144.7
[M+Na]+	203.140628	150.6
[M-H]-	179.144134	144.1
[M+NH4]+	198.185233	165.1
[M+K]+	219.114568	147.5
[M+H-H2O]+	163.148670	139.6
[M+HCOO]-	225.149611	167.5
[M+CH3COO]-	239.165261	183.4
[M+Na-2H]-	201.126076	148.8
[M]+	180.15086142	147.6
[M]-	180.15195858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe