CID 11401124

5e,7z-dodecadienal

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CCCC/C=C\C=C\CCCC=O

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+

InChIKey

LDQDYNHCLZNOFB-IGTJQSIKSA-N

Compound name

(5E,7Z)-dodeca-5,7-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 62
Patents: 180.15141 Da
Monoisotopic Mass: 3.5
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	144.7
[M+Na]+	203.14063	150.6
[M-H]-	179.14413	144.1
[M+NH4]+	198.18523	165.1
[M+K]+	219.11457	147.5
[M+H-H2O]+	163.14867	139.6
[M+HCOO]-	225.14961	167.5
[M+CH3COO]-	239.16526	183.4
[M+Na-2H]-	201.12608	148.8
[M]+	180.15086	147.6
[M]-	180.15196	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe