CID 95851

1,1'-(piperazine-1,4-diyl)diethanone

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CC(=O)N1CCN(CC1)C(=O)C

InChI

InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3

InChIKey

NBQBICYRKOTWRR-UHFFFAOYSA-N

Compound name

1-(4-acetylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 652
Patents: 170.10553 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]+	171.11281	138.6
[M+Na]+	193.09475	148.3
[M+NH4]+	188.13935	145.2
[M+K]+	209.06869	144.2
[M-H]-	169.09825	137.8
[M+Na-2H]-	191.08020	141.8
[M]+	170.10498	139.3
[M]-	170.10608	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe