CID 85877866

Grewinol

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCCCCCC(CCCCCCCCC(=O)CCCCCCCCCCCC)O
InChI
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-21-25-29-33(35)31-27-23-19-20-24-28-32-34(36)30-26-22-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3
InChIKey
LJBLOIRMOMZGOI-UHFFFAOYSA-N
Compound name
22-hydroxytetratriacontan-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.52194 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.529216 245.5
[M+Na]+ 531.511158 250.7
[M-H]- 507.514664 227.6
[M+NH4]+ 526.555763 243.2
[M+K]+ 547.485098 251.7
[M+H-H2O]+ 491.519200 244.6
[M+HCOO]- 553.520141 249.2
[M+CH3COO]- 567.535791 251.7
[M+Na-2H]- 529.496606 229.8
[M]+ 508.52139142 245.2
[M]- 508.52248858 245.2
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.