CID 5312936

17-oxo-20z-hexacosenoic acid

Structural Information

Molecular Formula
C26H48O3
SMILES
CCCCC/C=C\CCC(=O)CCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H48O3/c1-2-3-4-5-13-16-19-22-25(27)23-20-17-14-11-9-7-6-8-10-12-15-18-21-24-26(28)29/h13,16H,2-12,14-15,17-24H2,1H3,(H,28,29)/b16-13-
InChIKey
KBDNHCBOCXMQNL-SSZFMOIBSA-N
Compound name
(Z)-17-oxohexacos-20-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.36035 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.36763 214.9
[M+Na]+ 431.34957 213.8
[M-H]- 407.35307 210.1
[M+NH4]+ 426.39417 213.0
[M+K]+ 447.32351 208.0
[M+H-H2O]+ 391.35761 206.9
[M+HCOO]- 453.35855 222.1
[M+CH3COO]- 467.37420 228.4
[M+Na-2H]- 429.33502 208.5
[M]+ 408.35980 222.7
[M]- 408.36090 222.7
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.