CID 101452

14149-31-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

C1C(CC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO2/c13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)

InChIKey

LIEGIQPEUGHGAI-UHFFFAOYSA-N

Compound name

4-phenylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 48
Patents: 189.07898 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]+	190.08626	139.6
[M+Na]+	212.06820	146.4
[M-H]-	188.07170	143.3
[M+NH4]+	207.11280	156.9
[M+K]+	228.04214	142.7
[M+H-H2O]+	172.07624	132.4
[M+HCOO]-	234.07718	158.7
[M+CH3COO]-	248.09283	178.7
[M+Na-2H]-	210.05365	144.5
[M]+	189.07843	134.2
[M]-	189.07953	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe