CID 23506816

1-methyl-2-(4-nitrophenyl)-1h-imidazole

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

CN1C=CN=C1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O2/c1-12-7-6-11-10(12)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3

InChIKey

RDCCHZDFNPOUQA-UHFFFAOYSA-N

Compound name

1-methyl-2-(4-nitrophenyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 203.06947 Da
Monoisotopic Mass: 1.5
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]+	204.07675	140.6
[M+Na]+	226.05869	155.1
[M+NH4]+	221.10329	148.7
[M+K]+	242.03263	153.1
[M-H]-	202.06219	144.7
[M+Na-2H]-	224.04414	148.9
[M]+	203.06892	143.7
[M]-	203.07002	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe