CID 3062432

Brn 0012403

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

C1CC2(CC3=CC=CC=C31)CC(=O)NC2=O

InChI

InChI=1S/C13H13NO2/c15-11-8-13(12(16)14-11)6-5-9-3-1-2-4-10(9)7-13/h1-4H,5-8H2,(H,14,15,16)

InChIKey

PLEYVXJVPUTVOC-UHFFFAOYSA-N

Compound name

spiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.09464 Da
Monoisotopic Mass: 1.2
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]+	216.101916	147.5
[M+Na]+	238.083858	155.5
[M-H]-	214.087364	151.3
[M+NH4]+	233.128463	169.1
[M+K]+	254.057798	150.6
[M+H-H2O]+	198.091900	141.0
[M+HCOO]-	260.092841	165.0
[M+CH3COO]-	274.108491	159.5
[M+Na-2H]-	236.069306	152.1
[M]+	215.09409142	142.0
[M]-	215.09518858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe