CID 3155212

3-(4-ethylpiperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CCN1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C9H18N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h2-8H2,1H3,(H,12,13)

InChIKey

IIFIFJPUSDQJBR-UHFFFAOYSA-N

Compound name

3-(4-ethylpiperazin-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 186.13683 Da
Monoisotopic Mass: -2.3
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]+	187.14411	144.1
[M+Na]+	209.12605	153.3
[M+NH4]+	204.17065	150.5
[M+K]+	225.09999	148.5
[M-H]-	185.12955	143.2
[M+Na-2H]-	207.11150	146.8
[M]+	186.13628	144.7
[M]-	186.13738	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe