CID 2760422

37618-28-3

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h1-4,13H,5-8H2,(H,16,17)

InChIKey

FZYJHCSEASCMOO-UHFFFAOYSA-N

Compound name

2-(piperazine-1-carbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 234.10045 Da
Monoisotopic Mass: -2.0
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]+	235.10773	153.1
[M+Na]+	257.08967	163.5
[M+NH4]+	252.13427	159.0
[M+K]+	273.06361	159.2
[M-H]-	233.09317	153.6
[M+Na-2H]-	255.07512	158.0
[M]+	234.09990	154.3
[M]-	234.10100	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe