CID 116094

1-carbethoxy-4-ethylpiperazine hydrochloride

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCN1CCN(CC1)C(=O)OCC

InChI

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

InChIKey

DMHCQRMESDDXNG-UHFFFAOYSA-N

Compound name

ethyl 4-ethylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 186.13683 Da
Monoisotopic Mass: 0.7
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]+	187.14411	143.9
[M+Na]+	209.12605	153.8
[M+NH4]+	204.17065	150.8
[M+K]+	225.09999	148.7
[M-H]-	185.12955	143.6
[M+Na-2H]-	207.11150	147.3
[M]+	186.13628	144.9
[M]-	186.13738	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe