CID 2763494

O-(2-nitrobenzyl)hydroxylamine

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

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

InChI

InChI=1S/C7H8N2O3/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2

InChIKey

NNAKUCHOAIBOTH-UHFFFAOYSA-N

Compound name

O-[(2-nitrophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 168.0535 Da
Monoisotopic Mass: 1.0
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]+	169.06078	130.5
[M+Na]+	191.04272	137.5
[M-H]-	167.04622	134.0
[M+NH4]+	186.08732	149.6
[M+K]+	207.01666	132.4
[M+H-H2O]+	151.05076	129.1
[M+HCOO]-	213.05170	157.5
[M+CH3COO]-	227.06735	173.7
[M+Na-2H]-	189.02817	139.2
[M]+	168.05295	128.6
[M]-	168.05405	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe