CID 63661756

5-(methylamino)piperidin-2-one dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CNC1CCC(=O)NC1

InChI

InChI=1S/C6H12N2O/c1-7-5-2-3-6(9)8-4-5/h5,7H,2-4H2,1H3,(H,8,9)

InChIKey

TXDPGNSIELZBPH-UHFFFAOYSA-N

Compound name

5-(methylamino)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 128.09496 Da
Monoisotopic Mass: -0.8
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]+	129.102236	126.8
[M+Na]+	151.084178	132.3
[M-H]-	127.087684	127.1
[M+NH4]+	146.128783	146.4
[M+K]+	167.058118	130.6
[M+H-H2O]+	111.092220	120.8
[M+HCOO]-	173.093161	146.6
[M+CH3COO]-	187.108811	170.4
[M+Na-2H]-	149.069626	132.7
[M]+	128.09441142	120.2
[M]-	128.09550858	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe