CID 54044514

Ethyl 2-(piperidin-3-yl)propanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCOC(=O)C(C)C1CCCNC1

InChI

InChI=1S/C10H19NO2/c1-3-13-10(12)8(2)9-5-4-6-11-7-9/h8-9,11H,3-7H2,1-2H3

InChIKey

XRIQVADXRZQOLP-UHFFFAOYSA-N

Compound name

ethyl 2-piperidin-3-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	145.0
[M+Na]+	208.130808	148.3
[M-H]-	184.134314	144.5
[M+NH4]+	203.175413	162.3
[M+K]+	224.104748	147.2
[M+H-H2O]+	168.138850	138.5
[M+HCOO]-	230.139791	160.7
[M+CH3COO]-	244.155441	179.6
[M+Na-2H]-	206.116256	146.7
[M]+	185.14104142	140.4
[M]-	185.14213858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe