CID 71416420

Ethyl n-(4-nitrophenoxy)ethanimidate

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

CCOC(=NOC1=CC=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C10H12N2O4/c1-3-15-8(2)11-16-10-6-4-9(5-7-10)12(13)14/h4-7H,3H2,1-2H3

InChIKey

WDZAKURDTBXLAQ-UHFFFAOYSA-N

Compound name

ethyl N-(4-nitrophenoxy)ethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	158.3
[M+NH4]+	242.11353	153.7
[M+K]+	263.04287	155.5
[M-H]-	223.07243	149.7
[M+Na-2H]-	245.05438	152.5
[M]+	224.07916	148.8
[M]-	224.08026	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe