CID 15872108

28-hydroxy-6-methyl-5-tritriacontanone

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCC(CCCCCCCCCCCCCCCCCCCCCC(C)C(=O)CCCC)O
InChI
InChI=1S/C34H68O2/c1-4-6-25-29-33(35)30-27-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-26-28-32(3)34(36)31-7-5-2/h32-33,35H,4-31H2,1-3H3
InChIKey
CWAFOZKQAVUFRD-UHFFFAOYSA-N
Compound name
28-hydroxy-6-methyltritriacontan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.52194 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.529216 244.6
[M+Na]+ 531.511158 250.4
[M-H]- 507.514664 228.3
[M+NH4]+ 526.555763 244.0
[M+K]+ 547.485098 251.9
[M+H-H2O]+ 491.519200 244.4
[M+HCOO]- 553.520141 246.1
[M+CH3COO]- 567.535791 252.4
[M+Na-2H]- 529.496606 229.7
[M]+ 508.52139142 244.4
[M]- 508.52248858 244.4
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.