CID 211786

23571-53-1

Structural Information

Molecular Formula
C8H11N3O4
SMILES
CCOC(=O)CN1C(=CN=C1[N+](=O)[O-])C
InChI
InChI=1S/C8H11N3O4/c1-3-15-7(12)5-10-6(2)4-9-8(10)11(13)14/h4H,3,5H2,1-2H3
InChIKey
OIMZWTXIJSMDIS-UHFFFAOYSA-N
Compound name
ethyl 2-(5-methyl-2-nitroimidazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07495 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08223 143.6
[M+Na]+ 236.06417 154.2
[M+NH4]+ 231.10877 149.1
[M+K]+ 252.03811 154.9
[M-H]- 212.06767 143.4
[M+Na-2H]- 234.04962 146.7
[M]+ 213.07440 144.5
[M]- 213.07550 144.5
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

No patent data available for this compound.