CID 1180477

4-(piperazin-1-yl)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H14N2O2/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)

InChIKey

IAGYKSQGLCAAAD-UHFFFAOYSA-N

Compound name

4-piperazin-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 206.10553 Da
Monoisotopic Mass: -1.6
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]+	207.11281	146.9
[M+Na]+	229.09475	158.3
[M+NH4]+	224.13935	153.9
[M+K]+	245.06869	152.9
[M-H]-	205.09825	148.4
[M+Na-2H]-	227.08020	152.9
[M]+	206.10498	148.6
[M]-	206.10608	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe