CID 11791

Hexaethylbenzene

Structural Information

Molecular Formula
C18H30
SMILES
CCC1=C(C(=C(C(=C1CC)CC)CC)CC)CC
InChI
InChI=1S/C18H30/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h7-12H2,1-6H3
InChIKey
LXSMILGNHYBUCG-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexaethylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

409
Patents

246.23476 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 160.9
[M+Na]+ 269.22398 169.3
[M-H]- 245.22748 164.8
[M+NH4]+ 264.26858 180.1
[M+K]+ 285.19792 165.4
[M+H-H2O]+ 229.23202 155.2
[M+HCOO]- 291.23296 182.5
[M+CH3COO]- 305.24861 204.5
[M+Na-2H]- 267.20943 161.1
[M]+ 246.23421 166.1
[M]- 246.23531 166.1
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