CID 83818820

5-(oxan-4-yl)piperidine-2,4-dione

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

C1COCCC1C2CNC(=O)CC2=O

InChI

InChI=1S/C10H15NO3/c12-9-5-10(13)11-6-8(9)7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)

InChIKey

DXLXIEYNSPHMCM-UHFFFAOYSA-N

Compound name

5-(oxan-4-yl)piperidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 Da
Monoisotopic Mass: -0.2
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]+	198.112476	143.7
[M+Na]+	220.094418	147.8
[M-H]-	196.097924	147.1
[M+NH4]+	215.139023	159.1
[M+K]+	236.068358	146.5
[M+H-H2O]+	180.102460	136.5
[M+HCOO]-	242.103401	158.0
[M+CH3COO]-	256.119051	179.2
[M+Na-2H]-	218.079866	146.9
[M]+	197.10465142	135.8
[M]-	197.10574858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.