CID 2734170

1-hexyl-2,3-dimethylimidazolium iodide

Structural Information

Molecular Formula
C11H21N2
SMILES
CCCCCCN1C=C[N+](=C1C)C
InChI
InChI=1S/C11H21N2/c1-4-5-6-7-8-13-10-9-12(3)11(13)2/h9-10H,4-8H2,1-3H3/q+1
InChIKey
SWWLEHMBKPSRSI-UHFFFAOYSA-N
Compound name
1-hexyl-2,3-dimethylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1862
Patents

181.17047 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.17775 143.7
[M+Na]+ 204.15969 152.1
[M-H]- 180.16319 144.9
[M+NH4]+ 199.20429 163.3
[M+K]+ 220.13363 144.6
[M+H-H2O]+ 164.16773 139.4
[M+HCOO]- 226.16867 165.5
[M+CH3COO]- 240.18432 178.8
[M+Na-2H]- 202.14514 149.5
[M]+ 181.16992 145.5
[M]- 181.17102 145.5
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