CID 3040582

4-ethyl-6-(4-morpholinylmethyl)-2,3-morpholinedione hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₄

SMILES

CCN1CC(OC(=O)C1=O)CN2CCOCC2

InChI

InChI=1S/C11H18N2O4/c1-2-13-8-9(17-11(15)10(13)14)7-12-3-5-16-6-4-12/h9H,2-8H2,1H3

InChIKey

QWBUKQNRTISWMQ-UHFFFAOYSA-N

Compound name

4-ethyl-6-(morpholin-4-ylmethyl)morpholine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.12666 Da
Monoisotopic Mass: -0.1
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]+	243.133936	156.3
[M+Na]+	265.115878	161.4
[M-H]-	241.119384	160.4
[M+NH4]+	260.160483	168.0
[M+K]+	281.089818	161.9
[M+H-H2O]+	225.123920	147.6
[M+HCOO]-	287.124861	169.6
[M+CH3COO]-	301.140511	191.2
[M+Na-2H]-	263.101326	159.2
[M]+	242.12611142	153.5
[M]-	242.12720858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.