CID 215889

36689-15-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1C(C(=O)N(C1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2O2/c11-12-9(13)6-8(10(12)14)7-4-2-1-3-5-7/h1-5,8H,6,11H2

InChIKey

QXKSJQUQZKEAAZ-UHFFFAOYSA-N

Compound name

1-amino-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.07423 Da
Monoisotopic Mass: 0.1
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	138.6
[M+Na]+	213.063448	147.2
[M-H]-	189.066954	144.1
[M+NH4]+	208.108053	158.2
[M+K]+	229.037388	144.2
[M+H-H2O]+	173.071490	131.7
[M+HCOO]-	235.072431	162.2
[M+CH3COO]-	249.088081	183.2
[M+Na-2H]-	211.048896	141.6
[M]+	190.07368142	135.6
[M]-	190.07477858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe