CID 16217727

1,4-bis(3,7-dimethyloctyl)benzene

Structural Information

Molecular Formula
C26H46
SMILES
CC(C)CCCC(C)CCC1=CC=C(C=C1)CCC(C)CCCC(C)C
InChI
InChI=1S/C26H46/c1-21(2)9-7-11-23(5)13-15-25-17-19-26(20-18-25)16-14-24(6)12-8-10-22(3)4/h17-24H,7-16H2,1-6H3
InChIKey
XTDSXTPHPOPBPO-UHFFFAOYSA-N
Compound name
1,4-bis(3,7-dimethyloctyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.35995 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.36723 200.6
[M+Na]+ 381.34917 210.2
[M+NH4]+ 376.39377 207.6
[M+K]+ 397.32311 201.4
[M-H]- 357.35267 202.7
[M+Na-2H]- 379.33462 203.3
[M]+ 358.35940 202.6
[M]- 358.36050 202.6
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.