CID 12203350

33544-40-0

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CN1CCN(CC1)CCC(=O)OC

InChI

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

InChIKey

GAPYHLNXLZTGEH-UHFFFAOYSA-N

Compound name

methyl 3-(4-methylpiperazin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 186.13683 Da
Monoisotopic Mass: -0.1
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	143.7
[M+Na]+	209.12605	149.0
[M-H]-	185.12955	143.6
[M+NH4]+	204.17065	160.7
[M+K]+	225.09999	148.5
[M+H-H2O]+	169.13409	136.2
[M+HCOO]-	231.13503	160.9
[M+CH3COO]-	245.15068	182.3
[M+Na-2H]-	207.11150	146.9
[M]+	186.13628	142.2
[M]-	186.13738	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe