CID 206939

1-piperazineacetic acid, 4-methyl-, ethyl ester

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCOC(=O)CN1CCN(CC1)C

InChI

InChI=1S/C9H18N2O2/c1-3-13-9(12)8-11-6-4-10(2)5-7-11/h3-8H2,1-2H3

InChIKey

QETJQVJIERQYIQ-UHFFFAOYSA-N

Compound name

ethyl 2-(4-methylpiperazin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 189
Patents: 186.13683 Da
Monoisotopic Mass: 0.4
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	143.7
[M+Na]+	209.126048	149.0
[M-H]-	185.129554	143.6
[M+NH4]+	204.170653	160.7
[M+K]+	225.099988	148.5
[M+H-H2O]+	169.134090	136.2
[M+HCOO]-	231.135031	160.9
[M+CH3COO]-	245.150681	182.3
[M+Na-2H]-	207.111496	146.9
[M]+	186.13628142	142.2
[M]-	186.13737858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe