CID 2736463

Ethyl 2-(piperazin-1-yl)propanoate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCOC(=O)C(C)N1CCNCC1

InChI

InChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3

InChIKey

LWPINFVZIFEBEG-UHFFFAOYSA-N

Compound name

ethyl 2-piperazin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 186.13683 Da
Monoisotopic Mass: 0.3
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]+	187.144106	144.9
[M+Na]+	209.126048	148.5
[M-H]-	185.129554	143.1
[M+NH4]+	204.170653	160.8
[M+K]+	225.099988	147.6
[M+H-H2O]+	169.134090	137.5
[M+HCOO]-	231.135031	159.6
[M+CH3COO]-	245.150681	179.4
[M+Na-2H]-	207.111496	147.1
[M]+	186.13628142	140.4
[M]-	186.13737858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe