CID 17928

Alonimid

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1CC2(CCC(=O)NC2=O)C3=CC=CC=C3C1=O

InChI

InChI=1S/C14H13NO3/c16-11-5-7-14(8-6-12(17)15-13(14)18)10-4-2-1-3-9(10)11/h1-4H,5-8H2,(H,15,17,18)

InChIKey

WZAIVXXKOAWTGQ-UHFFFAOYSA-N

Compound name

spiro[2,3-dihydronaphthalene-4,3'-piperidine]-1,2',6'-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3268
Patents: 243.08954 Da
Monoisotopic Mass: 0.7
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]+	244.096816	152.9
[M+Na]+	266.078758	160.5
[M-H]-	242.082264	156.4
[M+NH4]+	261.123363	171.4
[M+K]+	282.052698	155.7
[M+H-H2O]+	226.086800	145.5
[M+HCOO]-	288.087741	168.0
[M+CH3COO]-	302.103391	164.0
[M+Na-2H]-	264.064206	158.2
[M]+	243.08899142	146.6
[M]-	243.09008858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe