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]+ 509.52922 244.6
[M+Na]+ 531.51116 250.4
[M-H]- 507.51466 228.3
[M+NH4]+ 526.55576 244.0
[M+K]+ 547.48510 251.9
[M+H-H2O]+ 491.51920 244.4
[M+HCOO]- 553.52014 246.1
[M+CH3COO]- 567.53579 252.4
[M+Na-2H]- 529.49661 229.7
[M]+ 508.52139 244.4
[M]- 508.52249 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.