CID 90185

23571-58-6

Structural Information

Molecular Formula
C8H12N4O3
SMILES
CCC1=CN=C(N1CC(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C8H12N4O3/c1-3-6-4-10-8(12(14)15)11(6)5-7(13)9-2/h4H,3,5H2,1-2H3,(H,9,13)
InChIKey
FCVKJABRPBJPHG-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-nitroimidazol-1-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09094 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 144.1
[M+Na]+ 235.08016 151.4
[M-H]- 211.08366 145.8
[M+NH4]+ 230.12476 161.0
[M+K]+ 251.05410 146.3
[M+H-H2O]+ 195.08820 141.3
[M+HCOO]- 257.08914 168.7
[M+CH3COO]- 271.10479 183.1
[M+Na-2H]- 233.06561 150.1
[M]+ 212.09039 143.8
[M]- 212.09149 143.8
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.