CID 72760

1506-47-4

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₄

SMILES

C1C(=O)NC(=O)CN1CCN2CC(=O)NC(=O)C2

InChI

InChI=1S/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)

InChIKey

GBLIGNUYGOFIKS-UHFFFAOYSA-N

Compound name

4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 309
Patents: 254.1015 Da
Monoisotopic Mass: -1.8
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]+	255.10878	159.9
[M+Na]+	277.09072	168.7
[M+NH4]+	272.13532	163.2
[M+K]+	293.06466	165.3
[M-H]-	253.09422	157.7
[M+Na-2H]-	275.07617	160.7
[M]+	254.10095	159.7
[M]-	254.10205	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe