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

1098
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

literature stripe

Patent stripe

patents stripe