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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.06659	139.2
[M+Na]+	222.04853	150.0
[M+NH4]+	217.09313	144.9
[M+K]+	238.02247	150.9
[M-H]-	198.05203	139.0
[M+Na-2H]-	220.03398	142.5
[M]+	199.05876	140.1
[M]-	199.05986	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe