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]+ 311.236956 176.9
[M+Na]+ 333.218898 183.2
[M-H]- 309.222404 182.5
[M+NH4]+ 328.263503 191.9
[M+K]+ 349.192838 179.0
[M+H-H2O]+ 293.226940 170.5
[M+HCOO]- 355.227881 193.2
[M+CH3COO]- 369.243531 209.4
[M+Na-2H]- 331.204346 178.8
[M]+ 310.22913142 178.0
[M]- 310.23022858 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

literature stripe

Patent stripe

patents stripe