CID 10261546

167414-87-1

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

COC(=O)CCC1CCNCC1

InChI

InChI=1S/C9H17NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h8,10H,2-7H2,1H3

InChIKey

FGTFCEJPMHOBDS-UHFFFAOYSA-N

Compound name

methyl 3-piperidin-4-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 171.12593 Da
Monoisotopic Mass: 0.7
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	140.3
[M+Na]+	194.11515	149.4
[M+NH4]+	189.15975	147.6
[M+K]+	210.08909	144.2
[M-H]-	170.11865	140.2
[M+Na-2H]-	192.10060	143.7
[M]+	171.12538	141.2
[M]-	171.12648	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe