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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.6
[M+Na]+ 247.06893 152.3
[M-H]- 223.07243 150.2
[M+NH4]+ 242.11353 163.5
[M+K]+ 263.04287 147.2
[M+H-H2O]+ 207.07697 144.5
[M+HCOO]- 269.07791 172.6
[M+CH3COO]- 283.09356 184.7
[M+Na-2H]- 245.05438 153.7
[M]+ 224.07916 146.7
[M]- 224.08026 146.7
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

No patent data available for this compound.