CID 2574890

1176419-86-5

Structural Information

Molecular Formula

C₈H₁₇N₃O

SMILES

CNCC(=O)N1CCN(CC1)C

InChI

InChI=1S/C8H17N3O/c1-9-7-8(12)11-5-3-10(2)4-6-11/h9H,3-7H2,1-2H3

InChIKey

CKRGUQFETZTMME-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-(4-methylpiperazin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 71
Patents: 171.13716 Da
Monoisotopic Mass: -0.9
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]+	172.14444	139.9
[M+Na]+	194.12638	149.2
[M+NH4]+	189.17098	147.0
[M+K]+	210.10032	144.2
[M-H]-	170.12988	140.4
[M+Na-2H]-	192.11183	143.8
[M]+	171.13661	140.9
[M]-	171.13771	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe