CID 174076

1-ethyl-3-methylimidazolium chloride

Structural Information

Molecular Formula
C6H11N2
SMILES
CCN1C=C[N+](=C1)C
InChI
InChI=1S/C6H11N2/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H3/q+1
InChIKey
NJMWOUFKYKNWDW-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

364
References

28737
Patents

111.092224 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.09950 120.6
[M+Na]+ 134.08144 130.3
[M-H]- 110.08495 122.3
[M+NH4]+ 129.12605 142.7
[M+K]+ 150.05538 124.1
[M+H-H2O]+ 94.089484 117.1
[M+HCOO]- 156.09042 144.1
[M+CH3COO]- 170.10608 162.6
[M+Na-2H]- 132.06689 129.8
[M]+ 111.09168 120.3
[M]- 111.09277 120.3
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