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]+ 359.367226 202.3
[M+Na]+ 381.349168 202.4
[M-H]- 357.352674 203.2
[M+NH4]+ 376.393773 215.2
[M+K]+ 397.323108 198.2
[M+H-H2O]+ 341.357210 194.2
[M+HCOO]- 403.358151 217.0
[M+CH3COO]- 417.373801 226.8
[M+Na-2H]- 379.334616 195.6
[M]+ 358.35940142 206.2
[M]- 358.36049858 206.2
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.