CID 5312382

2e,4e-dodecadienoic acid

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CCCCCCC/C=C/C=C/C(=O)O

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+

InChIKey

HQSBWLQFLLMPKC-BNFZFUHLSA-N

Compound name

(2E,4E)-dodeca-2,4-dienoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1415
Patents: 196.14633 Da
Monoisotopic Mass: 4.4
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]+	197.153606	149.3
[M+Na]+	219.135548	154.4
[M-H]-	195.139054	147.3
[M+NH4]+	214.180153	168.1
[M+K]+	235.109488	151.3
[M+H-H2O]+	179.143590	144.2
[M+HCOO]-	241.144531	169.8
[M+CH3COO]-	255.160181	183.4
[M+Na-2H]-	217.120996	151.5
[M]+	196.14578142	150.9
[M]-	196.14687858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe