CID 12476479

69370-98-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1C(=O)N(C(=O)CN1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O2/c13-9-6-11-7-10(14)12(9)8-4-2-1-3-5-8/h1-5,11H,6-7H2

InChIKey

KADYWLYFLFQIQJ-UHFFFAOYSA-N

Compound name

1-phenylpiperazine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 190.07423 Da
Monoisotopic Mass: -0.2
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]+	191.081506	140.3
[M+Na]+	213.063448	147.5
[M-H]-	189.066954	142.6
[M+NH4]+	208.108053	156.1
[M+K]+	229.037388	143.8
[M+H-H2O]+	173.071490	132.2
[M+HCOO]-	235.072431	158.3
[M+CH3COO]-	249.088081	178.5
[M+Na-2H]-	211.048896	145.6
[M]+	190.07368142	135.0
[M]-	190.07477858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe