CID 2756306

705944-29-2

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

C=CCN1CCN(CC1)C(=O)CN

InChI

InChI=1S/C9H17N3O/c1-2-3-11-4-6-12(7-5-11)9(13)8-10/h2H,1,3-8,10H2

InChIKey

ZLLIGTGLSYKGNV-UHFFFAOYSA-N

Compound name

2-amino-1-(4-prop-2-enylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.13716 Da
Monoisotopic Mass: -0.7
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]+	184.14444	143.6
[M+Na]+	206.12638	152.4
[M+NH4]+	201.17098	150.0
[M+K]+	222.10032	147.3
[M-H]-	182.12988	143.5
[M+Na-2H]-	204.11183	146.6
[M]+	183.13661	144.3
[M]-	183.13771	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.