CID 2799399

5-morpholino-2-nitrophenol

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N2O4/c13-10-7-8(1-2-9(10)12(14)15)11-3-5-16-6-4-11/h1-2,7,13H,3-6H2

InChIKey

XXIIDARBNMZFEH-UHFFFAOYSA-N

Compound name

5-morpholin-4-yl-2-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 101
Patents: 224.07971 Da
Monoisotopic Mass: 1.6
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	145.6
[M+Na]+	247.06893	158.5
[M+NH4]+	242.11353	153.1
[M+K]+	263.04287	156.2
[M-H]-	223.07243	150.8
[M+Na-2H]-	245.05438	151.6
[M]+	224.07916	148.6
[M]-	224.08026	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe