CID 79870

Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C22H38O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C22H38O/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6/h11-13,23H,14-15H2,1-10H3
InChIKey
DNYCICZKXQGHBJ-UHFFFAOYSA-N
Compound name
2,4-bis(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

257
Patents

318.29227 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.29955 185.9
[M+Na]+ 341.28149 195.6
[M+NH4]+ 336.32609 192.2
[M+K]+ 357.25543 190.8
[M-H]- 317.28499 185.5
[M+Na-2H]- 339.26694 189.6
[M]+ 318.29172 187.5
[M]- 318.29282 187.5
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