CID 131751831

6-hydroxy-8-docosanone

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCC(=O)CC(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/h21,23H,3-20H2,1-2H3
InChIKey
BTQBYWOOCWQDQS-UHFFFAOYSA-N
Compound name
6-hydroxydocosan-8-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]+ 341.341416 198.0
[M+Na]+ 363.323358 197.9
[M-H]- 339.326864 193.9
[M+NH4]+ 358.367963 210.8
[M+K]+ 379.297298 193.8
[M+H-H2O]+ 323.331400 190.7
[M+HCOO]- 385.332341 213.6
[M+CH3COO]- 399.347991 217.1
[M+Na-2H]- 361.308806 193.4
[M]+ 340.33359142 204.3
[M]- 340.33468858 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.