CID 131751832

8-hydroxy-6-docosanone

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCC(CC(=O)CCCCC)O
InChI
InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h22,24H,3-20H2,1-2H3
InChIKey
CZYQLDGGYGBNJN-UHFFFAOYSA-N
Compound name
8-hydroxydocosan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.33414 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 198.0
[M+Na]+ 363.32336 197.9
[M-H]- 339.32686 193.9
[M+NH4]+ 358.36796 210.8
[M+K]+ 379.29730 193.8
[M+H-H2O]+ 323.33140 190.7
[M+HCOO]- 385.33234 213.6
[M+CH3COO]- 399.34799 217.1
[M+Na-2H]- 361.30881 193.4
[M]+ 340.33359 204.3
[M]- 340.33469 204.3
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.