CID 2758877

1564-49-4

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CCOC(=O)C1=NC=C(N1C)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4/c1-3-14-7(11)6-8-4-5(9(6)2)10(12)13/h4H,3H2,1-2H3
InChIKey
IFMBEWCVGFBHPO-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-5-nitroimidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.05931 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 139.0
[M+Na]+ 222.04853 147.6
[M-H]- 198.05203 140.9
[M+NH4]+ 217.09313 156.8
[M+K]+ 238.02247 143.3
[M+H-H2O]+ 182.05657 136.7
[M+HCOO]- 244.05751 163.1
[M+CH3COO]- 258.07316 177.5
[M+Na-2H]- 220.03398 145.2
[M]+ 199.05876 140.5
[M]- 199.05986 140.5
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

patents stripe