CID 15751929

3-methoxy-1-(piperidin-1-yl)propan-1-one

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

COCCC(=O)N1CCCCC1

InChI

InChI=1S/C9H17NO2/c1-12-8-5-9(11)10-6-3-2-4-7-10/h2-8H2,1H3

InChIKey

CJLLUXGLPVVKMT-UHFFFAOYSA-N

Compound name

3-methoxy-1-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 171.12593 Da
Monoisotopic Mass: 0.4
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]+	172.13321	139.6
[M+Na]+	194.11515	143.9
[M-H]-	170.11865	140.6
[M+NH4]+	189.15975	158.3
[M+K]+	210.08909	143.6
[M+H-H2O]+	154.12319	132.8
[M+HCOO]-	216.12413	158.1
[M+CH3COO]-	230.13978	178.4
[M+Na-2H]-	192.10060	143.5
[M]+	171.12538	137.2
[M]-	171.12648	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe