CID 4778837

1-benzoylpiperidin-4-amine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CN(CCC1N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9,13H2

InChIKey

YMJRDZSVSJUACX-UHFFFAOYSA-N

Compound name

(4-aminopiperidin-1-yl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 204.12627 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]+	205.13355	147.2
[M+Na]+	227.11549	158.6
[M+NH4]+	222.16009	155.6
[M+K]+	243.08943	152.2
[M-H]-	203.11899	151.1
[M+Na-2H]-	225.10094	154.3
[M]+	204.12572	149.7
[M]-	204.12682	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe