CID 22010870

2411306-62-0

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CNCCC(=O)N1CCN(CC1)C

InChI

InChI=1S/C9H19N3O/c1-10-4-3-9(13)12-7-5-11(2)6-8-12/h10H,3-8H2,1-2H3

InChIKey

YWIINESWJWUPGZ-UHFFFAOYSA-N

Compound name

3-(methylamino)-1-(4-methylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.15282 Da
Monoisotopic Mass: -1.0
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]+	186.16010	144.3
[M+Na]+	208.14204	153.4
[M+NH4]+	203.18664	151.2
[M+K]+	224.11598	148.1
[M-H]-	184.14554	144.7
[M+Na-2H]-	206.12749	147.9
[M]+	185.15227	145.3
[M]-	185.15337	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe