CID 79517890

1-(4-methoxyphenyl)piperidine-2,4-dione

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC1=CC=C(C=C1)N2CCC(=O)CC2=O

InChI

InChI=1S/C12H13NO3/c1-16-11-4-2-9(3-5-11)13-7-6-10(14)8-12(13)15/h2-5H,6-8H2,1H3

InChIKey

RSXNYWDYOOQHHZ-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)piperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.08954 Da
Monoisotopic Mass: 0.9
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]+	220.096816	146.1
[M+Na]+	242.078758	153.7
[M-H]-	218.082264	151.4
[M+NH4]+	237.123363	163.1
[M+K]+	258.052698	151.3
[M+H-H2O]+	202.086800	138.4
[M+HCOO]-	264.087741	166.6
[M+CH3COO]-	278.103391	187.6
[M+Na-2H]-	240.064206	150.3
[M]+	219.08899142	144.8
[M]-	219.09008858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.