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: 84
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]+	186.14887	144.9
[M+Na]+	208.13081	148.3
[M-H]-	184.13431	144.3
[M+NH4]+	203.17541	162.2
[M+K]+	224.10475	146.8
[M+H-H2O]+	168.13885	138.2
[M+HCOO]-	230.13979	161.6
[M+CH3COO]-	244.15544	178.8
[M+Na-2H]-	206.11626	147.8
[M]+	185.14104	140.9
[M]-	185.14214	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe