CID 18980081

2270909-64-1

Structural Information

Molecular Formula

C₉H₁₂N₂O₄

SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCCN

InChI

InChI=1S/C9H12N2O4/c1-14-8-3-2-7(11(12)13)6-9(8)15-5-4-10/h2-3,6H,4-5,10H2,1H3

InChIKey

PBNFUFMVSWAELL-UHFFFAOYSA-N

Compound name

2-(2-methoxy-5-nitrophenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 212.07971 Da
Monoisotopic Mass: 1.2
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]+	213.08699	142.7
[M+Na]+	235.06893	154.4
[M+NH4]+	230.11353	149.8
[M+K]+	251.04287	151.9
[M-H]-	211.07243	145.6
[M+Na-2H]-	233.05438	148.0
[M]+	212.07916	144.8
[M]-	212.08026	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe