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]+ 453.466596 232.7
[M+Na]+ 475.448538 229.3
[M-H]- 451.452044 214.9
[M+NH4]+ 470.493143 229.2
[M+K]+ 491.422478 223.1
[M+H-H2O]+ 435.456580 223.9
[M+HCOO]- 497.457521 236.6
[M+CH3COO]- 511.473171 240.4
[M+Na-2H]- 473.433986 224.0
[M]+ 452.45877142 231.5
[M]- 452.45986858 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.