CID 3047641

63867-69-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)CCCN1CCCCC1

InChI

InChI=1S/C10H19NO2/c1-13-10(12)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3

InChIKey

KJSCSZQWNCEXBT-UHFFFAOYSA-N

Compound name

methyl 4-piperidin-1-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	144.2
[M+Na]+	208.13081	148.0
[M-H]-	184.13431	145.0
[M+NH4]+	203.17541	162.3
[M+K]+	224.10475	147.4
[M+H-H2O]+	168.13885	137.2
[M+HCOO]-	230.13979	162.4
[M+CH3COO]-	244.15544	181.4
[M+Na-2H]-	206.11626	147.6
[M]+	185.14104	142.1
[M]-	185.14214	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe