CID 95241

2142-06-5

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1CC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

IONNJVQITCVNHK-UHFFFAOYSA-N

Compound name

1-benzylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 286
Patents: 189.07898 Da
Monoisotopic Mass: 0.6
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]+	190.086256	139.0
[M+Na]+	212.068198	147.2
[M-H]-	188.071704	144.5
[M+NH4]+	207.112803	159.0
[M+K]+	228.042138	144.4
[M+H-H2O]+	172.076240	132.0
[M+HCOO]-	234.077181	161.8
[M+CH3COO]-	248.092831	180.8
[M+Na-2H]-	210.053646	142.8
[M]+	189.07843142	137.7
[M]-	189.07952858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe