CID 2051413

318280-11-4

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CN1CCN(CC1)C(=O)CC(=O)O

InChI

InChI=1S/C8H14N2O3/c1-9-2-4-10(5-3-9)7(11)6-8(12)13/h2-6H2,1H3,(H,12,13)

InChIKey

FGKIJORVCGGTTG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 186.10045 Da
Monoisotopic Mass: -3.0
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]+	187.10773	141.7
[M+Na]+	209.08967	150.4
[M+NH4]+	204.13427	147.3
[M+K]+	225.06361	147.2
[M-H]-	185.09317	139.9
[M+Na-2H]-	207.07512	143.8
[M]+	186.09990	141.9
[M]-	186.10100	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe