CID 3103713

143073-73-8

Structural Information

Molecular Formula
C7H8N4O6
SMILES
CCOC(=O)CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O6/c1-2-17-6(12)4-9-3-5(10(13)14)8-7(9)11(15)16/h3H,2,4H2,1H3
InChIKey
DDCMMHFKQIPWRB-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4-dinitroimidazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

244.04439 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05167 150.1
[M+Na]+ 267.03361 156.7
[M-H]- 243.03711 152.0
[M+NH4]+ 262.07821 164.3
[M+K]+ 283.00755 148.5
[M+H-H2O]+ 227.04165 151.7
[M+HCOO]- 289.04259 174.4
[M+CH3COO]- 303.05824 180.0
[M+Na-2H]- 265.01906 158.3
[M]+ 244.04384 149.4
[M]- 244.04494 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.