CID 9549046

872521-99-8

Structural Information

Molecular Formula

SMILES

C1[C@H](NC(=O)CC1=O)C(=O)O

InChI

InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)/t4-/m0/s1

InChIKey

JIOAUMVDGKPIAF-BYPYZUCNSA-N

Compound name

(2S)-4,6-dioxopiperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 157.0375 Da
Monoisotopic Mass: -1.2
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]+	158.04478	128.8
[M+Na]+	180.02672	135.9
[M-H]-	156.03022	128.3
[M+NH4]+	175.07132	146.8
[M+K]+	196.00066	134.2
[M+H-H2O]+	140.03476	123.5
[M+HCOO]-	202.03570	146.1
[M+CH3COO]-	216.05135	169.7
[M+Na-2H]-	178.01217	132.2
[M]+	157.03695	124.0
[M]-	157.03805	124.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.