CID 79615

5470-28-0

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₄

SMILES

CCOC(=O)N1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C10H18N2O4/c1-3-15-9(13)11-5-7-12(8-6-11)10(14)16-4-2/h3-8H2,1-2H3

InChIKey

NAEAAGULDNVNCW-UHFFFAOYSA-N

Compound name

diethyl piperazine-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 230.12666 Da
Monoisotopic Mass: 0.5
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]+	231.133936	152.6
[M+Na]+	253.115878	157.6
[M-H]-	229.119384	152.5
[M+NH4]+	248.160483	167.8
[M+K]+	269.089818	157.8
[M+H-H2O]+	213.123920	144.9
[M+HCOO]-	275.124861	169.2
[M+CH3COO]-	289.140511	187.5
[M+Na-2H]-	251.101326	154.3
[M]+	230.12611142	152.8
[M]-	230.12720858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe