CID 100826

39890-42-1

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CC(C)NC(=O)CN1CCNCC1

InChI

InChI=1S/C9H19N3O/c1-8(2)11-9(13)7-12-5-3-10-4-6-12/h8,10H,3-7H2,1-2H3,(H,11,13)

InChIKey

FFOHTSTWXWJGQR-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 479
Patents: 185.15282 Da
Monoisotopic Mass: -0.2
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	144.8
[M+Na]+	208.14204	152.6
[M+NH4]+	203.18664	151.2
[M+K]+	224.11598	148.3
[M-H]-	184.14554	144.4
[M+Na-2H]-	206.12749	147.6
[M]+	185.15227	145.2
[M]-	185.15337	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe