CID 131751795

11,13-hexacosanedione

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCC
InChI
InChI=1S/C26H50O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-26(28)24-25(27)22-20-18-16-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
LPLFQLPPNAQKPN-UHFFFAOYSA-N
Compound name
hexacosane-11,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.38107 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.388346 213.6
[M+Na]+ 417.370288 212.6
[M-H]- 393.373794 210.1
[M+NH4]+ 412.414893 215.0
[M+K]+ 433.344228 207.7
[M+H-H2O]+ 377.378330 205.4
[M+HCOO]- 439.379271 223.7
[M+CH3COO]- 453.394921 230.6
[M+Na-2H]- 415.355736 207.5
[M]+ 394.38052142 222.6
[M]- 394.38161858 222.6
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.