CID 79516920

1-(naphthalen-1-yl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1C(=O)CN(C1=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H11NO2/c16-11-8-14(17)15(9-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7H,8-9H2

InChIKey

FBFJDEOTRGBEGQ-UHFFFAOYSA-N

Compound name

1-naphthalen-1-ylpyrrolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.07898 Da
Monoisotopic Mass: 2.3
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]+	226.086256	147.8
[M+Na]+	248.068198	157.0
[M-H]-	224.071704	154.5
[M+NH4]+	243.112803	167.5
[M+K]+	264.042138	152.7
[M+H-H2O]+	208.076240	140.5
[M+HCOO]-	270.077181	169.5
[M+CH3COO]-	284.092831	161.1
[M+Na-2H]-	246.053646	152.1
[M]+	225.07843142	146.7
[M]-	225.07952858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe