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

39
Patents

224.07971 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 147.0
[M+Na]+ 247.06893 153.2
[M-H]- 223.07243 152.1
[M+NH4]+ 242.11353 164.8
[M+K]+ 263.04287 149.1
[M+H-H2O]+ 207.07697 144.7
[M+HCOO]- 269.07791 174.6
[M+CH3COO]- 283.09356 186.8
[M+Na-2H]- 245.05438 154.5
[M]+ 224.07916 148.9
[M]- 224.08026 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe