CID 52921852

5z,9z-eicosadienoic acid

Structural Information

Molecular Formula
C20H36O2
SMILES
CCCCCCCCCC/C=C\CC/C=C\CCCC(=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/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,21,22)/b12-11-,16-15-
InChIKey
CMBQZQWDEKQNGW-ATNUXVQMSA-N
Compound name
(5Z,9Z)-icosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe