CID 74968

2086-26-2

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1=CC(=CC=C1CON)[N+](=O)[O-]

InChI

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

InChIKey

OJYSJFUYARGLPG-UHFFFAOYSA-N

Compound name

O-[(4-nitrophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 424
Patents: 168.0535 Da
Monoisotopic Mass: 1.1
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	130.6
[M+Na]+	191.04272	142.9
[M+NH4]+	186.08732	138.7
[M+K]+	207.01666	140.2
[M-H]-	167.04622	134.1
[M+Na-2H]-	189.02817	137.2
[M]+	168.05295	133.1
[M]-	168.05405	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe