CID 12704870

34125-57-0

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

C1CN(CCN1)CCN2C=CC=CC2=O

InChI

InChI=1S/C11H17N3O/c15-11-3-1-2-6-14(11)10-9-13-7-4-12-5-8-13/h1-3,6,12H,4-5,7-10H2

InChIKey

IFGLYFGMVPARFN-UHFFFAOYSA-N

Compound name

1-(2-piperazin-1-ylethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.13716 Da
Monoisotopic Mass: -0.2
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]+	208.14444	148.2
[M+Na]+	230.12638	153.8
[M-H]-	206.12988	148.4
[M+NH4]+	225.17098	161.8
[M+K]+	246.10032	149.6
[M+H-H2O]+	190.13442	138.7
[M+HCOO]-	252.13536	164.0
[M+CH3COO]-	266.15101	182.1
[M+Na-2H]-	228.11183	153.6
[M]+	207.13661	142.6
[M]-	207.13771	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe