CID 3090

Dimetridazole

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=NC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3

InChIKey

IBXPYPUJPLLOIN-UHFFFAOYSA-N

Compound name

1,2-dimethyl-5-nitroimidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 16
References: 1932
Patents: 141.05383 Da
Monoisotopic Mass: 0.1
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]+	142.06111	124.8
[M+Na]+	164.04305	137.3
[M+NH4]+	159.08765	132.4
[M+K]+	180.01699	136.9
[M-H]-	140.04655	126.2
[M+Na-2H]-	162.02850	130.1
[M]+	141.05328	126.7
[M]-	141.05438	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe