CID 74195

1625-91-8

Structural Information

Molecular Formula
C20H26
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H26/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6/h7-14H,1-6H3
InChIKey
CDKCEZNPAYWORX-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-(4-tert-butylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1001
Patents

266.20346 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21074 165.2
[M+Na]+ 289.19268 172.3
[M-H]- 265.19618 172.1
[M+NH4]+ 284.23728 182.5
[M+K]+ 305.16662 168.1
[M+H-H2O]+ 249.20072 158.6
[M+HCOO]- 311.20166 184.5
[M+CH3COO]- 325.21731 202.0
[M+Na-2H]- 287.17813 170.3
[M]+ 266.20291 166.2
[M]- 266.20401 166.2
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

No patent data available for this compound.