CID 21315496

Tetra-sec-butylphenol

Structural Information

Molecular Formula
C22H38O
SMILES
CCC(C)C1=CC(=C(C(=C1C(C)CC)C(C)CC)C(C)CC)O
InChI
InChI=1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3
InChIKey
CBHPYQFMMHSJAU-UHFFFAOYSA-N
Compound name
2,3,4,5-tetra(butan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.29227 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.29955 183.7
[M+Na]+ 341.28149 187.9
[M-H]- 317.28499 185.3
[M+NH4]+ 336.32609 198.5
[M+K]+ 357.25543 184.7
[M+H-H2O]+ 301.28953 177.5
[M+HCOO]- 363.29047 198.6
[M+CH3COO]- 377.30612 218.0
[M+Na-2H]- 339.26694 176.9
[M]+ 318.29172 187.0
[M]- 318.29282 187.0
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