CID 373053

Nsc648885

Structural Information

Molecular Formula

C₆H₉N₅O₂

SMILES

CC1=NC(=CN1CC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C6H9N5O2/c1-4-9-6(11(12)13)3-10(4)2-5(7)8/h3H,2H2,1H3,(H3,7,8)

InChIKey

MAVIGNHNGQTYIE-UHFFFAOYSA-N

Compound name

2-(2-methyl-4-nitroimidazol-1-yl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.07562 Da
Monoisotopic Mass: -0.7
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]+	184.082896	134.4
[M+Na]+	206.064838	141.7
[M-H]-	182.068344	135.9
[M+NH4]+	201.109443	151.8
[M+K]+	222.038778	136.2
[M+H-H2O]+	166.072880	131.6
[M+HCOO]-	228.073821	159.9
[M+CH3COO]-	242.089471	179.8
[M+Na-2H]-	204.050286	140.9
[M]+	183.07507142	130.3
[M]-	183.07616858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.