CID 72735916

1-nitroso-4-(pyridin-2-yl)piperazine

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

C1CN(CCN1C2=CC=CC=N2)N=O

InChI

InChI=1S/C9H12N4O/c14-11-13-7-5-12(6-8-13)9-3-1-2-4-10-9/h1-4H,5-8H2

InChIKey

YAEBUEIXWHSRFJ-UHFFFAOYSA-N

Compound name

1-nitroso-4-pyridin-2-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.1011 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]+	193.108376	141.2
[M+Na]+	215.090318	147.6
[M-H]-	191.093824	144.5
[M+NH4]+	210.134923	156.4
[M+K]+	231.064258	145.7
[M+H-H2O]+	175.098360	131.2
[M+HCOO]-	237.099301	161.8
[M+CH3COO]-	251.114951	186.0
[M+Na-2H]-	213.075766	149.2
[M]+	192.10055142	138.0
[M]-	192.10164858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe