CID 131751818

6-hydroxy-8-hexacosanone

Structural Information

Molecular Formula
C26H52O2
SMILES
CCCCCCCCCCCCCCCCCCC(=O)CC(CCCCC)O
InChI
InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(28)24-25(27)22-20-6-4-2/h25,27H,3-24H2,1-2H3
InChIKey
AZPCZHMEQBFZQM-UHFFFAOYSA-N
Compound name
6-hydroxyhexacosan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.39673 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.404006 215.5
[M+Na]+ 419.385948 213.8
[M-H]- 395.389454 210.6
[M+NH4]+ 414.430553 214.8
[M+K]+ 435.359888 208.7
[M+H-H2O]+ 379.393990 207.5
[M+HCOO]- 441.394931 223.7
[M+CH3COO]- 455.410581 228.8
[M+Na-2H]- 417.371396 208.9
[M]+ 396.39618142 223.3
[M]- 396.39727858 223.3
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.