CID 6438484

Ficulinic acid a

Structural Information

Molecular Formula
C26H48O3
SMILES
CCCCCCC/C=C/C(=O)CCCCCCCC(CCCCCCC)C(=O)O
InChI
InChI=1S/C26H48O3/c1-3-5-7-9-10-14-18-22-25(27)23-19-15-11-13-17-21-24(26(28)29)20-16-12-8-6-4-2/h18,22,24H,3-17,19-21,23H2,1-2H3,(H,28,29)/b22-18+
InChIKey
MZFOIBHOHIMICN-RELWKKBWSA-N
Compound name
(E)-2-heptyl-10-oxononadec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.36035 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.36763 215.6
[M+Na]+ 431.34957 214.3
[M-H]- 407.35307 210.9
[M+NH4]+ 426.39417 214.0
[M+K]+ 447.32351 209.1
[M+H-H2O]+ 391.35761 207.8
[M+HCOO]- 453.35855 219.2
[M+CH3COO]- 467.37420 229.2
[M+Na-2H]- 429.33502 207.9
[M]+ 408.35980 222.8
[M]- 408.36090 222.8
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

No patent data available for this compound.