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
3
Annotation Hits

1
References

232
Patents

318.29227 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.299546 180.4
[M+Na]+ 341.281488 185.6
[M-H]- 317.284994 182.5
[M+NH4]+ 336.326093 195.5
[M+K]+ 357.255428 182.7
[M+H-H2O]+ 301.289530 175.9
[M+HCOO]- 363.290471 193.1
[M+CH3COO]- 377.306121 213.0
[M+Na-2H]- 339.266936 184.2
[M]+ 318.29172142 183.4
[M]- 318.29281858 183.4
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