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]+ 431.42476 222.8
[M+Na]+ 453.40670 221.4
[M-H]- 429.41020 221.1
[M+NH4]+ 448.45130 232.0
[M+K]+ 469.38064 214.3
[M+H-H2O]+ 413.41474 213.5
[M+HCOO]- 475.41568 237.9
[M+CH3COO]- 489.43133 235.2
[M+Na-2H]- 451.39215 217.1
[M]+ 430.41693 229.6
[M]- 430.41803 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.