CID 56936052

22-keto-26-hexacosanolide

Structural Information

Molecular Formula
C26H48O3
SMILES
C1CCCCCCCCCCC(=O)OCCCCC(=O)CCCCCCCCC1
InChI
InChI=1S/C26H48O3/c27-25-21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23-26(28)29-24-20-19-22-25/h1-24H2
InChIKey
ZBDDNIFFGBJABU-UHFFFAOYSA-N
Compound name
oxacycloheptacosane-2,23-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.36035 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.36763 201.1
[M+Na]+ 431.34957 194.9
[M-H]- 407.35307 202.6
[M+NH4]+ 426.39417 204.8
[M+K]+ 447.32351 193.8
[M+H-H2O]+ 391.35761 197.3
[M+HCOO]- 453.35855 206.1
[M+CH3COO]- 467.37420 206.5
[M+Na-2H]- 429.33502 193.8
[M]+ 408.35980 180.0
[M]- 408.36090 180.0
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.