CID 21462751

179689-05-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)CCCC1CCNCC1

InChI

InChI=1S/C10H19NO2/c1-13-10(12)4-2-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3

InChIKey

LOIQBPKYXVFRJE-UHFFFAOYSA-N

Compound name

methyl 4-piperidin-4-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 185.14159 Da
Monoisotopic Mass: 1.3
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]+	186.148866	144.9
[M+Na]+	208.130808	148.3
[M-H]-	184.134314	144.3
[M+NH4]+	203.175413	162.2
[M+K]+	224.104748	146.8
[M+H-H2O]+	168.138850	138.2
[M+HCOO]-	230.139791	161.6
[M+CH3COO]-	244.155441	178.8
[M+Na-2H]-	206.116256	147.8
[M]+	185.14104142	140.9
[M]-	185.14213858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe