CID 145721312

Pantheric acid b

Structural Information

Molecular Formula
C24H42O3
SMILES
CCCC/C=C\CCCCCCCCCCCC[C@@H](/C=C\C=C\C(=O)O)O
InChI
InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h5-6,18-19,21-23,25H,2-4,7-17,20H2,1H3,(H,26,27)/b6-5-,21-18-,22-19+/t23-/m0/s1
InChIKey
FVNQDZDHNYESSE-CASDLTSKSA-N
Compound name
(2E,4Z,6S,19Z)-6-hydroxytetracosa-2,4,19-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.3134 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.32068 205.2
[M+Na]+ 401.30262 204.9
[M-H]- 377.30612 199.5
[M+NH4]+ 396.34722 201.4
[M+K]+ 417.27656 198.2
[M+H-H2O]+ 361.31066 198.0
[M+HCOO]- 423.31160 219.6
[M+CH3COO]- 437.32725 218.0
[M+Na-2H]- 399.28807 199.3
[M]+ 378.31285 209.4
[M]- 378.31395 209.4
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.