CID 72193697

26-oxohexacosanoate

Structural Information

Molecular Formula
C26H50O3
SMILES
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC=O
InChI
InChI=1S/C26H50O3/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(28)29/h25H,1-24H2,(H,28,29)
InChIKey
UWQBXHRRMZPENW-UHFFFAOYSA-N
Compound name
26-oxohexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.376 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.38328 215.3
[M+Na]+ 433.36522 214.0
[M-H]- 409.36872 210.3
[M+NH4]+ 428.40982 213.9
[M+K]+ 449.33916 208.3
[M+H-H2O]+ 393.37326 207.0
[M+HCOO]- 455.37420 226.4
[M+CH3COO]- 469.38985 229.1
[M+Na-2H]- 431.35067 210.1
[M]+ 410.37545 224.5
[M]- 410.37655 224.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.