CID 73555349

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

Structural Information

Molecular Formula
C36H66O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C36H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34(2)35-30-32-36(37)33-31-35/h30-34,37H,3-29H2,1-2H3
InChIKey
MZXHNRNVPHKCOJ-UHFFFAOYSA-N
Compound name
4-triacontan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

514.51135 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.51863 248.4
[M+Na]+ 537.50057 244.3
[M-H]- 513.50407 245.3
[M+NH4]+ 532.54517 254.0
[M+K]+ 553.47451 235.7
[M+H-H2O]+ 497.50861 237.8
[M+HCOO]- 559.50955 261.2
[M+CH3COO]- 573.52520 252.5
[M+Na-2H]- 535.48602 239.5
[M]+ 514.51080 257.2
[M]- 514.51190 257.2
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.