CID 13224768

1-(piperidin-1-yl)pentan-3-one

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCC(=O)CCN1CCCCC1

InChI

InChI=1S/C10H19NO/c1-2-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3

InChIKey

GRFNSRAUMQHCMG-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 169.14667 Da
Monoisotopic Mass: 1.2
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]+	170.15395	141.1
[M+Na]+	192.13589	151.1
[M+NH4]+	187.18049	149.2
[M+K]+	208.10983	144.8
[M-H]-	168.13939	142.2
[M+Na-2H]-	190.12134	145.5
[M]+	169.14612	142.6
[M]-	169.14722	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe