CID 6437827

79551-84-1

Structural Information

Molecular Formula
C20H30O4
SMILES
C(CCC(=O)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3-4,6-7,9-10,12H,2,5,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,6-4-,9-7-,12-10-
InChIKey
BGOJKUCHTMYINI-DTLRTWKJSA-N
Compound name
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

64
Patents

334.21442 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 187.1
[M+Na]+ 357.20364 189.1
[M-H]- 333.20714 182.2
[M+NH4]+ 352.24824 199.2
[M+K]+ 373.17758 182.7
[M+H-H2O]+ 317.21168 180.5
[M+HCOO]- 379.21262 203.4
[M+CH3COO]- 393.22827 205.9
[M+Na-2H]- 355.18909 183.5
[M]+ 334.21387 189.8
[M]- 334.21497 189.8
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