CID 11483665

Eicosadienic acid

Structural Information

Molecular Formula
C20H36O2
SMILES
CCCCCCCCCCCCCCC/C=C/C=C/C(=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/h16-19H,2-15H2,1H3,(H,21,22)/b17-16+,19-18+
InChIKey
LNAVIIOBBICBIS-NBRVCOCJSA-N
Compound name
(2E,4E)-icosa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5616
Patents

308.27155 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27883 184.5
[M+Na]+ 331.26077 191.6
[M+NH4]+ 326.30537 189.1
[M+K]+ 347.23471 183.1
[M-H]- 307.26427 182.0
[M+Na-2H]- 329.24622 183.7
[M]+ 308.27100 184.3
[M]- 308.27210 184.3
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