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: 535
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]+	186.160096	145.8
[M+Na]+	208.142038	148.7
[M-H]-	184.145544	144.0
[M+NH4]+	203.186643	161.5
[M+K]+	224.115978	147.2
[M+H-H2O]+	168.150080	138.2
[M+HCOO]-	230.151021	161.3
[M+CH3COO]-	244.166671	182.3
[M+Na-2H]-	206.127486	148.4
[M]+	185.15227142	139.2
[M]-	185.15336858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe