CID 22644018

73936-80-8

Structural Information

Molecular Formula
C23H32O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C23H32O/c1-21(2,3)16-22(4,5)18-13-14-20(24)19(15-18)23(6,7)17-11-9-8-10-12-17/h8-15,24H,16H2,1-7H3
InChIKey
ONHZKWDILKBQLS-UHFFFAOYSA-N
Compound name
2-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

172
Patents

324.24533 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.252606 181.4
[M+Na]+ 347.234548 186.9
[M-H]- 323.238054 186.5
[M+NH4]+ 342.279153 195.4
[M+K]+ 363.208488 182.4
[M+H-H2O]+ 307.242590 174.8
[M+HCOO]- 369.243531 196.7
[M+CH3COO]- 383.259181 211.6
[M+Na-2H]- 345.219996 185.6
[M]+ 324.24478142 182.5
[M]- 324.24587858 182.5
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