CID 201026

Piperidine, 1-(2-propylvaleryl)-

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCCC(CCC)C(=O)N1CCCCC1

InChI

InChI=1S/C13H25NO/c1-3-8-12(9-4-2)13(15)14-10-6-5-7-11-14/h12H,3-11H2,1-2H3

InChIKey

OQQCTKXMRYGFFX-UHFFFAOYSA-N

Compound name

1-piperidin-1-yl-2-propylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.19362 Da
Monoisotopic Mass: 3.4
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]+	212.200896	155.0
[M+Na]+	234.182838	157.4
[M-H]-	210.186344	155.4
[M+NH4]+	229.227443	172.0
[M+K]+	250.156778	156.0
[M+H-H2O]+	194.190880	147.8
[M+HCOO]-	256.191821	171.0
[M+CH3COO]-	270.207471	189.3
[M+Na-2H]-	232.168286	155.5
[M]+	211.19307142	151.9
[M]-	211.19416858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe