CID 83795

1-acetylpiperazine

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(=O)N1CCNCC1

InChI

InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

InChIKey

PKDPUENCROCRCH-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 13268
Patents: 128.09496 Da
Monoisotopic Mass: -0.9
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]+	129.10224	128.5
[M+Na]+	151.08418	133.8
[M-H]-	127.08768	127.2
[M+NH4]+	146.12878	146.9
[M+K]+	167.05812	132.7
[M+H-H2O]+	111.09222	121.8
[M+HCOO]-	173.09316	145.0
[M+CH3COO]-	187.10881	167.4
[M+Na-2H]-	149.06963	133.5
[M]+	128.09441	122.2
[M]-	128.09551	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe