CID 178244261

2-ethyl-1-oxido-4h-imidazol-1-ium

Structural Information

Molecular Formula
C5H8N2O
SMILES
CCC1=NCC=[N+]1[O-]
InChI
InChI=1S/C5H8N2O/c1-2-5-6-3-4-7(5)8/h4H,2-3H2,1H3
InChIKey
QAVZIPPWVQZKJX-UHFFFAOYSA-N
Compound name
2-ethyl-1-oxido-4H-imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.3
[M+Na]+ 135.052878 129.8
[M-H]- 111.056384 120.5
[M+NH4]+ 130.097483 141.5
[M+K]+ 151.026818 124.4
[M+H-H2O]+ 95.060920 119.1
[M+HCOO]- 157.061861 143.7
[M+CH3COO]- 171.077511 158.4
[M+Na-2H]- 133.038326 129.1
[M]+ 112.06311142 118.5
[M]- 112.06420858 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.