CID 112814

5-methyl-2-nitro-1-vinyl-1h-imidazole

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

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

InChI

InChI=1S/C6H7N3O2/c1-3-8-5(2)4-7-6(8)9(10)11/h3-4H,1H2,2H3

InChIKey

UCRJJHVREFVPPM-UHFFFAOYSA-N

Compound name

1-ethenyl-5-methyl-2-nitroimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 153.05383 Da
Monoisotopic Mass: 1.2
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]+	154.06111	128.7
[M+Na]+	176.04305	141.1
[M+NH4]+	171.08765	135.9
[M+K]+	192.01699	140.3
[M-H]-	152.04655	129.8
[M+Na-2H]-	174.02850	133.6
[M]+	153.05328	130.4
[M]-	153.05438	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe