CID 16228717

4-(3-aminopyridin-2-yl)piperazin-2-one hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

C1CN(CC(=O)N1)C2=C(C=CC=N2)N

InChI

InChI=1S/C9H12N4O/c10-7-2-1-3-12-9(7)13-5-4-11-8(14)6-13/h1-3H,4-6,10H2,(H,11,14)

InChIKey

CJXOFPWQCZWCNV-UHFFFAOYSA-N

Compound name

4-(3-amino-2-pyridinyl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.1011 Da
Monoisotopic Mass: -0.3
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	143.5
[M+Na]+	215.090318	150.1
[M-H]-	191.093824	144.0
[M+NH4]+	210.134923	157.4
[M+K]+	231.064258	145.9
[M+H-H2O]+	175.098360	134.5
[M+HCOO]-	237.099301	160.5
[M+CH3COO]-	251.114951	154.0
[M+Na-2H]-	213.075766	148.7
[M]+	192.10055142	136.0
[M]-	192.10164858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe