CID 133525

84762-34-5

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₂

SMILES

CN1CCN(CC1)C(=O)CN2CCCC2=O

InChI

InChI=1S/C11H19N3O2/c1-12-5-7-13(8-6-12)11(16)9-14-4-2-3-10(14)15/h2-9H2,1H3

InChIKey

LFLAABFVKDLEMT-UHFFFAOYSA-N

Compound name

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 225.14772 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]+	226.15500	154.3
[M+Na]+	248.13694	159.1
[M-H]-	224.14044	155.8
[M+NH4]+	243.18154	169.8
[M+K]+	264.11088	157.2
[M+H-H2O]+	208.14498	145.4
[M+HCOO]-	270.14592	169.0
[M+CH3COO]-	284.16157	187.9
[M+Na-2H]-	246.12239	153.5
[M]+	225.14717	149.0
[M]-	225.14827	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe