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

14
Patents

199.05931 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.066586 139.0
[M+Na]+ 222.048528 147.6
[M-H]- 198.052034 140.9
[M+NH4]+ 217.093133 156.8
[M+K]+ 238.022468 143.3
[M+H-H2O]+ 182.056570 136.7
[M+HCOO]- 244.057511 163.1
[M+CH3COO]- 258.073161 177.5
[M+Na-2H]- 220.033976 145.2
[M]+ 199.05876142 140.5
[M]- 199.05985858 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