CID 52921780

(5z,9z)-octacosa-5,9-dienoic acid

Structural Information

Molecular Formula
C28H52O2
SMILES
CCCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C28H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h19-20,23-24H,2-18,21-22,25-27H2,1H3,(H,29,30)/b20-19-,24-23-
InChIKey
SQYBLVIRHDYEKI-HSRFISPZSA-N
Compound name
(5Z,9Z)-octacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.39673 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.40401 219.9
[M+Na]+ 443.38595 218.3
[M-H]- 419.38945 214.7
[M+NH4]+ 438.43055 216.9
[M+K]+ 459.35989 211.0
[M+H-H2O]+ 403.39399 211.7
[M+HCOO]- 465.39493 230.0
[M+CH3COO]- 479.41058 231.1
[M+Na-2H]- 441.37140 213.7
[M]+ 420.39618 227.6
[M]- 420.39728 227.6
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

No patent data available for this compound.