CID 76899

Benzene, p-di-tert-pentyl-

Structural Information

Molecular Formula
C16H26
SMILES
CCC(C)(C)C1=CC=C(C=C1)C(C)(C)CC
InChI
InChI=1S/C16H26/c1-7-15(3,4)13-9-11-14(12-10-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3
InChIKey
KNLFZJBLNQRLEL-UHFFFAOYSA-N
Compound name
1,4-bis(2-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

317
Patents

218.20345 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.210726 154.0
[M+Na]+ 241.192668 160.4
[M-H]- 217.196174 157.4
[M+NH4]+ 236.237273 173.2
[M+K]+ 257.166608 157.8
[M+H-H2O]+ 201.200710 148.8
[M+HCOO]- 263.201651 173.1
[M+CH3COO]- 277.217301 194.7
[M+Na-2H]- 239.178116 159.4
[M]+ 218.20290142 156.0
[M]- 218.20399858 156.0
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