CID 90175

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

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC(C)C1=CN=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C7H11N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4-5H,1-3H3

InChIKey

NOXMCEHYBLYCTK-UHFFFAOYSA-N

Compound name

1-methyl-2-nitro-5-propan-2-ylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 169.08513 Da
Monoisotopic Mass: 1.1
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]+	170.09241	133.6
[M+Na]+	192.07435	145.4
[M+NH4]+	187.11895	140.8
[M+K]+	208.04829	145.4
[M-H]-	168.07785	134.8
[M+Na-2H]-	190.05980	138.1
[M]+	169.08458	135.3
[M]-	169.08568	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe