CID 77231103

2377035-87-3

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1CN(CCN1)C2=CNC(=O)C=C2

InChI

InChI=1S/C9H13N3O/c13-9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2,(H,11,13)

InChIKey

HWSWTQFENFCZNV-UHFFFAOYSA-N

Compound name

5-piperazin-1-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 179.10587 Da
Monoisotopic Mass: -0.6
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]+	180.113146	140.1
[M+Na]+	202.095088	146.2
[M-H]-	178.098594	139.3
[M+NH4]+	197.139693	154.1
[M+K]+	218.069028	141.6
[M+H-H2O]+	162.103130	131.4
[M+HCOO]-	224.104071	155.1
[M+CH3COO]-	238.119721	150.4
[M+Na-2H]-	200.080536	146.1
[M]+	179.10532142	132.0
[M]-	179.10641858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe