CID 73555346

Phenol, 2(or 4)-sec-tetracosyl-

Structural Information

Molecular Formula
C30H54O
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C30H54O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2)29-24-26-30(31)27-25-29/h24-28,31H,3-23H2,1-2H3
InChIKey
VKOXTURZCFODST-UHFFFAOYSA-N
Compound name
4-tetracosan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

430.41748 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.424756 222.8
[M+Na]+ 453.406698 221.4
[M-H]- 429.410204 221.1
[M+NH4]+ 448.451303 232.0
[M+K]+ 469.380638 214.3
[M+H-H2O]+ 413.414740 213.5
[M+HCOO]- 475.415681 237.9
[M+CH3COO]- 489.431331 235.2
[M+Na-2H]- 451.392146 217.1
[M]+ 430.41693142 229.6
[M]- 430.41802858 229.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.