CID 21555

Ethyl 2-[(2-nitrophenyl)amino]acetate

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

CCOC(=O)CNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-5-3-4-6-9(8)12(14)15/h3-6,11H,2,7H2,1H3

InChIKey

GDBQBQLTUSNRBO-UHFFFAOYSA-N

Compound name

ethyl 2-(2-nitroanilino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.07971 Da
Monoisotopic Mass: 2.5
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]+	225.08699	146.6
[M+Na]+	247.06893	157.8
[M+NH4]+	242.11353	153.4
[M+K]+	263.04287	155.3
[M-H]-	223.07243	149.2
[M+Na-2H]-	245.05438	151.9
[M]+	224.07916	148.5
[M]-	224.08026	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.