CID 44553159

856188-06-2

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₄

SMILES

CN1CCN(CC1)CC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C11H17N3O4/c1-12-4-6-13(7-5-12)8-11(17)18-14-9(15)2-3-10(14)16/h2-8H2,1H3

InChIKey

OOKYGSFECMLZHC-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 255.1219 Da
Monoisotopic Mass: -0.9
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]+	256.12918	159.3
[M+Na]+	278.11112	167.4
[M+NH4]+	273.15572	164.0
[M+K]+	294.08506	165.8
[M-H]-	254.11462	158.2
[M+Na-2H]-	276.09657	160.7
[M]+	255.12135	159.5
[M]-	255.12245	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe