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]+	170.153946	140.9
[M+Na]+	192.135888	144.8
[M-H]-	168.139394	141.7
[M+NH4]+	187.180493	159.7
[M+K]+	208.109828	143.7
[M+H-H2O]+	152.143930	134.1
[M+HCOO]-	214.144871	158.9
[M+CH3COO]-	228.160521	180.1
[M+Na-2H]-	190.121336	144.3
[M]+	169.14612142	137.5
[M]-	169.14721858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe