CID 5364366

(e)-9,11-dodecadienal

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

C=C/C=C/CCCCCCCC=O

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2/b4-3+

InChIKey

QQGSJQOOBIWRBK-ONEGZZNKSA-N

Compound name

(9E)-dodeca-9,11-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 180.15141 Da
Monoisotopic Mass: 3.9
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	144.5
[M+Na]+	203.14063	150.2
[M-H]-	179.14413	143.9
[M+NH4]+	198.18523	164.7
[M+K]+	219.11457	147.2
[M+H-H2O]+	163.14867	139.3
[M+HCOO]-	225.14961	167.2
[M+CH3COO]-	239.16526	184.1
[M+Na-2H]-	201.12608	148.6
[M]+	180.15086	147.4
[M]-	180.15196	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe