CID 228537

127-54-8

Structural Information

Molecular Formula
C21H28O2
SMILES
CC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)C)O
InChI
InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3
InChIKey
IJWIRZQYWANBMP-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8865
Patents

312.20892 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.216196 176.3
[M+Na]+ 335.198138 182.5
[M-H]- 311.201644 180.6
[M+NH4]+ 330.242743 190.3
[M+K]+ 351.172078 178.3
[M+H-H2O]+ 295.206180 169.8
[M+HCOO]- 357.207121 192.1
[M+CH3COO]- 371.222771 209.0
[M+Na-2H]- 333.183586 175.5
[M]+ 312.20837142 177.0
[M]- 312.20946858 177.0
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