CID 2756285

917758-58-8

Structural Information

Molecular Formula

C₉H₁₇N₃O₂

SMILES

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

InChI

InChI=1S/C9H17N3O2/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10/h2-7,10H2,1H3

InChIKey

ANMSVTXATSIOEY-UHFFFAOYSA-N

Compound name

1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 199.13208 Da
Monoisotopic Mass: -2.0
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]+	200.13936	146.5
[M+Na]+	222.12130	154.5
[M+NH4]+	217.16590	152.2
[M+K]+	238.09524	150.8
[M-H]-	198.12480	145.7
[M+Na-2H]-	220.10675	148.7
[M]+	199.13153	146.8
[M]-	199.13263	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe