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: 297
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	143.7
[M+Na]+	230.08999	148.0
[M-H]-	206.09349	145.7
[M+NH4]+	225.13459	157.8
[M+K]+	246.06393	140.7
[M+H-H2O]+	190.09803	139.8
[M+HCOO]-	252.09897	162.2
[M+CH3COO]-	266.11462	176.3
[M+Na-2H]-	228.07544	151.2
[M]+	207.10022	135.5
[M]-	207.10132	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe