CID 100622

1-(morpholinocarbonylmethyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂

SMILES

C1CN(CCN1)CC(=O)N2CCOCC2

InChI

InChI=1S/C10H19N3O2/c14-10(13-5-7-15-8-6-13)9-12-3-1-11-2-4-12/h11H,1-9H2

InChIKey

LISKJKUMLVQGKE-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-2-piperazin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 548
Patents: 213.14772 Da
Monoisotopic Mass: -1.2
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]+	214.15500	152.1
[M+Na]+	236.13694	153.8
[M-H]-	212.14044	151.7
[M+NH4]+	231.18154	163.4
[M+K]+	252.11088	152.7
[M+H-H2O]+	196.14498	142.4
[M+HCOO]-	258.14592	162.2
[M+CH3COO]-	272.16157	181.4
[M+Na-2H]-	234.12239	155.0
[M]+	213.14717	142.8
[M]-	213.14827	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe