CID 93344

63428-98-8

Structural Information

Molecular Formula
C22H30O
SMILES
CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O/c1-15(16-11-9-8-10-12-16)18-13-17(21(2,3)4)14-19(20(18)23)22(5,6)7/h8-15,23H,1-7H3
InChIKey
XOVCWYXPFJNQLU-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

27
Patents

310.22968 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23696 176.9
[M+Na]+ 333.21890 183.2
[M-H]- 309.22240 182.5
[M+NH4]+ 328.26350 191.9
[M+K]+ 349.19284 179.0
[M+H-H2O]+ 293.22694 170.5
[M+HCOO]- 355.22788 193.2
[M+CH3COO]- 369.24353 209.4
[M+Na-2H]- 331.20435 178.8
[M]+ 310.22913 178.0
[M]- 310.23023 178.0
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

No patent data available for this compound.