CID 3078227

1h-imidazole-1-acetamide, n-hydroxy-2-nitro-, monopotassium salt

Structural Information

Molecular Formula
C5H5N4O4
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N[O-]
InChI
InChI=1S/C5H5N4O4/c10-4(7-11)3-8-2-1-6-5(8)9(12)13/h1-2H,3H2,(H-,7,10,11)/q-1
InChIKey
SYTUBJUERAKWRG-UHFFFAOYSA-N
Compound name
2-(2-nitroimidazol-1-yl)-N-oxidoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.03108 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03836 133.7
[M+Na]+ 208.02030 140.5
[M-H]- 184.02380 133.9
[M+NH4]+ 203.06490 150.2
[M+K]+ 223.99424 136.6
[M+H-H2O]+ 168.02834 133.2
[M+HCOO]- 230.02928 158.5
[M+CH3COO]- 244.04493 172.6
[M+Na-2H]- 206.00575 141.2
[M]+ 185.03053 130.7
[M]- 185.03163 130.7
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

patents stripe