CID 131750939

(+)-11-hydroxy-9-triacontanone

Structural Information

Molecular Formula
C30H60O2
SMILES
CCCCCCCCCCCCCCCCCCCC(CC(=O)CCCCCCCC)O
InChI
InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-30(32)28-29(31)26-24-22-10-8-6-4-2/h30,32H,3-28H2,1-2H3
InChIKey
JEVBMUVAWTUWJK-UHFFFAOYSA-N
Compound name
11-hydroxytriacontan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.45932 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 232.7
[M+Na]+ 475.44854 229.3
[M-H]- 451.45204 214.9
[M+NH4]+ 470.49314 229.2
[M+K]+ 491.42248 223.1
[M+H-H2O]+ 435.45658 223.9
[M+HCOO]- 497.45752 236.6
[M+CH3COO]- 511.47317 240.4
[M+Na-2H]- 473.43399 224.0
[M]+ 452.45877 231.5
[M]- 452.45987 231.5
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.