CID 199884

4,5-dimethyl-2-nitro-1h-imidazole

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=C(N=C(N1)[N+](=O)[O-])C

InChI

InChI=1S/C5H7N3O2/c1-3-4(2)7-5(6-3)8(9)10/h1-2H3,(H,6,7)

InChIKey

UQVVCXIRILGGCV-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-nitro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 141.05383 Da
Monoisotopic Mass: 1.0
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	125.0
[M+Na]+	164.04305	137.0
[M+NH4]+	159.08765	132.3
[M+K]+	180.01699	136.9
[M-H]-	140.04655	125.8
[M+Na-2H]-	162.02850	129.7
[M]+	141.05328	126.6
[M]-	141.05438	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe