CID 54138259

2940956-04-5

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CC(=O)NC(=O)C1CN

InChI

InChI=1S/C6H10N2O2/c7-3-4-1-2-5(9)8-6(4)10/h4H,1-3,7H2,(H,8,9,10)

InChIKey

NZGDBDFXEZULKI-UHFFFAOYSA-N

Compound name

3-(aminomethyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 142.07423 Da
Monoisotopic Mass: -1.0
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]+	143.081506	128.7
[M+Na]+	165.063448	135.4
[M-H]-	141.066954	128.9
[M+NH4]+	160.108053	147.7
[M+K]+	181.037388	133.3
[M+H-H2O]+	125.071490	122.9
[M+HCOO]-	187.072431	148.3
[M+CH3COO]-	201.088081	172.2
[M+Na-2H]-	163.048896	132.8
[M]+	142.07368142	122.3
[M]-	142.07477858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe