CID 122599

Phenol, 2,4-bis(1,1-dimethylethyl)-5-pentadecyl-

Structural Information

Molecular Formula
C29H52O
SMILES
CCCCCCCCCCCCCCCC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C29H52O/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-27(30)26(29(5,6)7)23-25(24)28(2,3)4/h22-23,30H,8-21H2,1-7H3
InChIKey
SOHBNMLQQDWLAV-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-5-pentadecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

416.40182 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.40910 217.1
[M+Na]+ 439.39104 226.4
[M+NH4]+ 434.43564 222.6
[M+K]+ 455.36498 217.5
[M-H]- 415.39454 217.6
[M+Na-2H]- 437.37649 218.8
[M]+ 416.40127 218.7
[M]- 416.40237 218.7
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

patents stripe