CID 107234

25027-52-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CC(CN1CCCCC1)C(=O)OC

InChI

InChI=1S/C10H19NO2/c1-9(10(12)13-2)8-11-6-4-3-5-7-11/h9H,3-8H2,1-2H3

InChIKey

UBJHJGYIZOTJCT-UHFFFAOYSA-N

Compound name

methyl 2-methyl-3-piperidin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 185.14159 Da
Monoisotopic Mass: 1.5
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	144.0
[M+Na]+	208.13081	153.2
[M+NH4]+	203.17541	151.4
[M+K]+	224.10475	148.3
[M-H]-	184.13431	144.3
[M+Na-2H]-	206.11626	147.6
[M]+	185.14104	145.1
[M]-	185.14214	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe