CID 171119144

7z,12z-eicosadienoic acid

Structural Information

Molecular Formula
C20H36O2
SMILES
CCCCCCC/C=C\CCC/C=C\CCCCCC(=O)O
InChI
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9,13-14H,2-7,10-12,15-19H2,1H3,(H,21,22)/b9-8-,14-13-
InChIKey
DFOSYHMMYNIUTL-ZQQYBVFVSA-N
Compound name
(7Z,12Z)-icosa-7,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.27155 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 185.3
[M+Na]+ 331.26077 187.1
[M-H]- 307.26427 181.7
[M+NH4]+ 326.30537 199.5
[M+K]+ 347.23471 181.8
[M+H-H2O]+ 291.26881 178.6
[M+HCOO]- 353.26975 203.1
[M+CH3COO]- 367.28540 207.5
[M+Na-2H]- 329.24622 183.2
[M]+ 308.27100 190.0
[M]- 308.27210 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.