CID 2760216

294210-79-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CN(CCN1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O2/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11H,4-7H2

InChIKey

LHHZRIYUOZPKSG-UHFFFAOYSA-N

Compound name

1-(3-nitrophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 281
Patents: 207.10077 Da
Monoisotopic Mass: 0.9
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]+	208.10805	143.2
[M+Na]+	230.08999	156.1
[M+NH4]+	225.13459	151.1
[M+K]+	246.06393	152.5
[M-H]-	206.09349	147.1
[M+Na-2H]-	228.07544	150.4
[M]+	207.10022	145.9
[M]-	207.10132	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe