CID 2724233

49575-10-2

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

CC1=NC=C(N1CCN)[N+](=O)[O-]

InChI

InChI=1S/C6H10N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3,7H2,1H3

InChIKey

FTZVRGDRIAPBKO-UHFFFAOYSA-N

Compound name

2-(2-methyl-5-nitroimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 127
Patents: 170.08037 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]+	171.08765	132.8
[M+Na]+	193.06959	141.1
[M-H]-	169.07309	134.1
[M+NH4]+	188.11419	151.3
[M+K]+	209.04353	135.7
[M+H-H2O]+	153.07763	130.3
[M+HCOO]-	215.07857	158.0
[M+CH3COO]-	229.09422	175.2
[M+Na-2H]-	191.05504	139.8
[M]+	170.07982	130.9
[M]-	170.08092	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe