CID 1652739

19099-48-0

Structural Information

Molecular Formula
C21H28
SMILES
CC(C)(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C21H28/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6/h7-14H,15H2,1-6H3
InChIKey
KRMBVBPNWUBFBC-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

280.2191 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22638 169.9
[M+Na]+ 303.20832 176.6
[M-H]- 279.21182 176.6
[M+NH4]+ 298.25292 186.6
[M+K]+ 319.18226 172.1
[M+H-H2O]+ 263.21636 163.1
[M+HCOO]- 325.21730 188.9
[M+CH3COO]- 339.23295 205.0
[M+Na-2H]- 301.19377 174.4
[M]+ 280.21855 171.2
[M]- 280.21965 171.2
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