CID 2756457

1049731-73-8

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

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

InChI

InChI=1S/C9H19N3O/c1-8(2)11-3-5-12(6-4-11)9(13)7-10/h8H,3-7,10H2,1-2H3

InChIKey

XDMDSQSMNHEMBA-UHFFFAOYSA-N

Compound name

2-amino-1-(4-propan-2-ylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 185.15282 Da
Monoisotopic Mass: -0.6
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	152.7
[M+NH4]+	203.18664	150.9
[M+K]+	224.11598	148.6
[M-H]-	184.14554	144.3
[M+Na-2H]-	206.12749	147.1
[M]+	185.15227	145.0
[M]-	185.15337	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe