CID 7131953

875164-29-7

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₃

SMILES

C1CN(CCN1)C(=O)C(=O)N2CCOCC2

InChI

InChI=1S/C10H17N3O3/c14-9(12-3-1-11-2-4-12)10(15)13-5-7-16-8-6-13/h11H,1-8H2

InChIKey

XHWMCHIHVJSGRA-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 227.127 Da
Monoisotopic Mass: -1.4
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]+	228.13428	154.1
[M+Na]+	250.11622	155.9
[M-H]-	226.11972	153.9
[M+NH4]+	245.16082	164.8
[M+K]+	266.09016	155.3
[M+H-H2O]+	210.12426	144.5
[M+HCOO]-	272.12520	163.6
[M+CH3COO]-	286.14085	182.5
[M+Na-2H]-	248.10167	155.9
[M]+	227.12645	144.8
[M]-	227.12755	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe