CID 6908

Hexamethylbenzene

Structural Information

Molecular Formula
C12H18
SMILES
CC1=C(C(=C(C(=C1C)C)C)C)C
InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexamethylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

58
References

14050
Patents

162.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.14813 132.4
[M+Na]+ 185.13007 143.4
[M-H]- 161.13357 137.5
[M+NH4]+ 180.17467 155.0
[M+K]+ 201.10401 141.1
[M+H-H2O]+ 145.13811 128.0
[M+HCOO]- 207.13905 156.1
[M+CH3COO]- 221.15470 186.3
[M+Na-2H]- 183.11552 136.1
[M]+ 162.14030 135.5
[M]- 162.14140 135.5
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