CID 1837374

3-(1-piperazinyl)propionic acid

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CN(CCN1)CCC(=O)O

InChI

InChI=1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11)

InChIKey

RSEHHYMPNZWTGQ-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 383
Patents: 158.10553 Da
Monoisotopic Mass: -3.2
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]+	159.11281	136.4
[M+Na]+	181.09475	140.6
[M-H]-	157.09825	133.3
[M+NH4]+	176.13935	152.6
[M+K]+	197.06869	138.7
[M+H-H2O]+	141.10279	129.4
[M+HCOO]-	203.10373	151.2
[M+CH3COO]-	217.11938	170.6
[M+Na-2H]-	179.08020	140.3
[M]+	158.10498	130.0
[M]-	158.10608	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe