CID 161829

Mon 0585

Structural Information

Molecular Formula
C23H32O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C23H32O/c1-21(2,3)18-14-17(15-19(20(18)24)22(4,5)6)23(7,8)16-12-10-9-11-13-16/h9-15,24H,1-8H3
InChIKey
ROEHFIIRMUXFRR-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

324.24533 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.252606 180.5
[M+Na]+ 347.234548 187.0
[M-H]- 323.238054 186.1
[M+NH4]+ 342.279153 195.0
[M+K]+ 363.208488 182.7
[M+H-H2O]+ 307.242590 174.3
[M+HCOO]- 369.243531 195.9
[M+CH3COO]- 383.259181 212.2
[M+Na-2H]- 345.219996 184.2
[M]+ 324.24478142 182.0
[M]- 324.24587858 182.0
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