CID 5312566

5,9-tetracosadienoic acid

Structural Information

Molecular Formula

C₂₄H₄₄O₂

SMILES

CCCCCCCCCCCCCC/C=C/CC/C=C/CCCC(=O)O

InChI

InChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h15-16,19-20H,2-14,17-18,21-23H2,1H3,(H,25,26)/b16-15+,20-19+

InChIKey

OVQSZVCJOZKJGA-LMOVRVBNSA-N

Compound name

(5E,9E)-tetracosa-5,9-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 364.33414 Da
Monoisotopic Mass: 9.6
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]+	365.34142	202.8
[M+Na]+	387.32336	202.9
[M-H]-	363.32686	198.4
[M+NH4]+	382.36796	214.7
[M+K]+	403.29730	196.6
[M+H-H2O]+	347.33140	195.3
[M+HCOO]-	409.33234	219.2
[M+CH3COO]-	423.34799	219.3
[M+Na-2H]-	385.30881	198.6
[M]+	364.33359	209.0
[M]-	364.33469	209.0

Literature stripe

literature stripe

Patent stripe

patents stripe