CID 3015759

2,6-di-tert-butyl-4-octylphenol

Structural Information

Molecular Formula
C22H38O
SMILES
CCCCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C22H38O/c1-8-9-10-11-12-13-14-17-15-18(21(2,3)4)20(23)19(16-17)22(5,6)7/h15-16,23H,8-14H2,1-7H3
InChIKey
NICMVXRQHWVBAP-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-octylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

590
Patents

318.29227 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.29955 184.7
[M+Na]+ 341.28149 190.0
[M-H]- 317.28499 186.4
[M+NH4]+ 336.32609 199.9
[M+K]+ 357.25543 185.8
[M+H-H2O]+ 301.28953 179.0
[M+HCOO]- 363.29047 200.5
[M+CH3COO]- 377.30612 213.0
[M+Na-2H]- 339.26694 185.2
[M]+ 318.29172 189.1
[M]- 318.29282 189.1
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

patents stripe