CID 16792591

141516-24-7

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CC(=O)N1CCN(CC1)CCCN

InChI

InChI=1S/C9H19N3O/c1-9(13)12-7-5-11(6-8-12)4-2-3-10/h2-8,10H2,1H3

InChIKey

RSXHTKGIQPDYQI-UHFFFAOYSA-N

Compound name

1-[4-(3-aminopropyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 185.15282 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]+	186.16010	144.3
[M+Na]+	208.14204	153.1
[M+NH4]+	203.18664	151.0
[M+K]+	224.11598	148.1
[M-H]-	184.14554	144.5
[M+Na-2H]-	206.12749	147.4
[M]+	185.15227	145.2
[M]-	185.15337	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe