CID 12512111

N-methylnitroacetamide

Structural Information

Molecular Formula

C₃H₆N₂O₃

SMILES

CNC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H2,1H3,(H,4,6)

InChIKey

RXGDLJRIJKYANC-UHFFFAOYSA-N

Compound name

N-methyl-2-nitroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 118.03784 Da
Monoisotopic Mass: -0.5
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]+	119.04512	119.0
[M+Na]+	141.02706	125.9
[M-H]-	117.03056	119.8
[M+NH4]+	136.07166	140.4
[M+K]+	157.00100	122.9
[M+H-H2O]+	101.03510	119.0
[M+HCOO]-	163.03604	145.6
[M+CH3COO]-	177.05169	164.8
[M+Na-2H]-	139.01251	127.4
[M]+	118.03729	117.2
[M]-	118.03839	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe