CID 3065845

109104-45-2

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CN1C(=O)CC2(C1=O)CCC3=CC=CC=C3C2

InChI

InChI=1S/C14H15NO2/c1-15-12(16)9-14(13(15)17)7-6-10-4-2-3-5-11(10)8-14/h2-5H,6-9H2,1H3

InChIKey

RMKQRTVQYVEVFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 1.4
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]+	230.117556	150.9
[M+Na]+	252.099498	159.8
[M-H]-	228.103004	156.3
[M+NH4]+	247.144103	173.0
[M+K]+	268.073438	155.6
[M+H-H2O]+	212.107540	144.2
[M+HCOO]-	274.108481	169.6
[M+CH3COO]-	288.124131	163.6
[M+Na-2H]-	250.084946	154.8
[M]+	229.10973142	147.9
[M]-	229.11082858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.