CID 18334961

3-amino-1-methylpiperidine-2,6-dione hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN1C(=O)CCC(C1=O)N

InChI

InChI=1S/C6H10N2O2/c1-8-5(9)3-2-4(7)6(8)10/h4H,2-3,7H2,1H3

InChIKey

PREDVCVMQCMUDT-UHFFFAOYSA-N

Compound name

3-amino-1-methylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 142.07423 Da
Monoisotopic Mass: -1.3
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]+	143.08151	127.5
[M+Na]+	165.06345	135.7
[M-H]-	141.06695	129.6
[M+NH4]+	160.10805	147.6
[M+K]+	181.03739	134.5
[M+H-H2O]+	125.07149	121.8
[M+HCOO]-	187.07243	148.6
[M+CH3COO]-	201.08808	175.9
[M+Na-2H]-	163.04890	131.5
[M]+	142.07368	123.5
[M]-	142.07478	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe