CID 2760432

2-(1-piperazinyl)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CN(CCN1)C2=CC=CC=C2C(=O)O

InChI

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

InChIKey

ZYLZQIMSYNAILC-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 206.10553 Da
Monoisotopic Mass: -1.4
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]+	207.112806	146.4
[M+Na]+	229.094748	151.2
[M-H]-	205.098254	146.8
[M+NH4]+	224.139353	160.5
[M+K]+	245.068688	147.5
[M+H-H2O]+	189.102790	138.3
[M+HCOO]-	251.103731	161.4
[M+CH3COO]-	265.119381	179.6
[M+Na-2H]-	227.080196	150.3
[M]+	206.10498142	139.3
[M]-	206.10607858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe