CID 20335

1,3-dimethylimidazolium iodide

Structural Information

Molecular Formula
C5H9N2
SMILES
CN1C=C[N+](=C1)C
InChI
InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3/q+1
InChIKey
HVVRUQBMAZRKPJ-UHFFFAOYSA-N
Compound name
1,3-dimethylimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

8341
Patents

97.07658 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.083856 115.8
[M+Na]+ 120.06580 125.9
[M-H]- 96.069304 117.7
[M+NH4]+ 115.11040 138.5
[M+K]+ 136.03974 120.1
[M+H-H2O]+ 80.073840 112.5
[M+HCOO]- 142.07478 139.6
[M+CH3COO]- 156.09043 159.6
[M+Na-2H]- 118.05125 125.6
[M]+ 97.076031 115.1
[M]- 97.077129 115.1
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