CID 11794

Pentaethylbenzene

Structural Information

Molecular Formula
C16H26
SMILES
CCC1=CC(=C(C(=C1CC)CC)CC)CC
InChI
InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3
InChIKey
JREJWHNDQOGSQT-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentaethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1040
Patents

218.20345 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.21073 152.7
[M+Na]+ 241.19267 161.0
[M-H]- 217.19617 156.6
[M+NH4]+ 236.23727 172.7
[M+K]+ 257.16661 157.6
[M+H-H2O]+ 201.20071 147.1
[M+HCOO]- 263.20165 175.0
[M+CH3COO]- 277.21730 197.2
[M+Na-2H]- 239.17812 154.6
[M]+ 218.20290 156.8
[M]- 218.20400 156.8
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.