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

1061
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

literature stripe

Patent stripe

patents stripe