CID 13558146

6116-48-9

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

C1CCC2(C1)C3=CC=CC=C3C(=O)NC2=O

InChI

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

InChIKey

DICKRLLKGRHNOC-UHFFFAOYSA-N

Compound name

spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 215.09464 Da
Monoisotopic Mass: 2.1
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]+	216.10192	148.8
[M+Na]+	238.08386	160.4
[M+NH4]+	233.12846	159.0
[M+K]+	254.05780	153.4
[M-H]-	214.08736	151.0
[M+Na-2H]-	236.06931	154.7
[M]+	215.09409	151.0
[M]-	215.09519	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe