CID 211787

5-methyl-2-nitroimidazole-1-acetamide

Structural Information

Molecular Formula
C6H8N4O3
SMILES
CC1=CN=C(N1CC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H8N4O3/c1-4-2-8-6(10(12)13)9(4)3-5(7)11/h2H,3H2,1H3,(H2,7,11)
InChIKey
DUCVVHZXMUEXPN-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-nitroimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06693 134.5
[M+Na]+ 207.04887 142.7
[M-H]- 183.05237 136.0
[M+NH4]+ 202.09347 152.3
[M+K]+ 223.02281 137.7
[M+H-H2O]+ 167.05691 132.1
[M+HCOO]- 229.05785 159.2
[M+CH3COO]- 243.07350 177.0
[M+Na-2H]- 205.03432 140.6
[M]+ 184.05910 132.6
[M]- 184.06020 132.6
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.