CID 5312390

(8e,10e)-dodeca-8,10-dienoate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

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

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-5H,6-11H2,1H3,(H,13,14)/b3-2+,5-4+

InChIKey

RIRWUBGRKQQBBQ-MQQKCMAXSA-N

Compound name

(8E,10E)-dodeca-8,10-dienoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 196.14633 Da
Monoisotopic Mass: 3.7
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]+	197.15361	149.6
[M+Na]+	219.13555	158.3
[M+NH4]+	214.18015	155.6
[M+K]+	235.10949	151.8
[M-H]-	195.13905	147.5
[M+Na-2H]-	217.12100	150.9
[M]+	196.14578	149.8
[M]-	196.14688	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe