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
2
Annotation Hits

0
References

167
Patents

324.24533 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25261 181.4
[M+Na]+ 347.23455 186.9
[M-H]- 323.23805 186.5
[M+NH4]+ 342.27915 195.4
[M+K]+ 363.20849 182.4
[M+H-H2O]+ 307.24259 174.8
[M+HCOO]- 369.24353 196.7
[M+CH3COO]- 383.25918 211.6
[M+Na-2H]- 345.22000 185.6
[M]+ 324.24478 182.5
[M]- 324.24588 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