CID 1395380

55480-45-0

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CN1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

JSHLMMUXJIDENZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 530
Patents: 172.12119 Da
Monoisotopic Mass: -2.7
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]+	173.12847	139.7
[M+Na]+	195.11041	149.2
[M+NH4]+	190.15501	146.3
[M+K]+	211.08435	144.6
[M-H]-	171.11391	138.8
[M+Na-2H]-	193.09586	142.7
[M]+	172.12064	140.4
[M]-	172.12174	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe