CID 10749203

5-(aminomethyl)piperidin-2-one hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C1CC(=O)NCC1CN

InChI

InChI=1S/C6H12N2O/c7-3-5-1-2-6(9)8-4-5/h5H,1-4,7H2,(H,8,9)

InChIKey

IASZWPMYNYDRFL-UHFFFAOYSA-N

Compound name

5-(aminomethyl)piperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 128.09496 Da
Monoisotopic Mass: -1.1
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]+	129.10224	127.3
[M+Na]+	151.08418	132.8
[M-H]-	127.08768	127.1
[M+NH4]+	146.12878	146.7
[M+K]+	167.05812	130.8
[M+H-H2O]+	111.09222	121.3
[M+HCOO]-	173.09316	146.4
[M+CH3COO]-	187.10881	169.7
[M+Na-2H]-	149.06963	132.1
[M]+	128.09441	119.7
[M]-	128.09551	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe