CID 2771759

1279027-16-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C10H13N3O2/c14-10(15)8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2,(H,14,15)

InChIKey

UMYHUVUKIGFYAI-UHFFFAOYSA-N

Compound name

6-piperazin-1-ylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 207.10077 Da
Monoisotopic Mass: -2.1
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]+	208.10805	146.8
[M+Na]+	230.08999	152.1
[M-H]-	206.09349	146.0
[M+NH4]+	225.13459	159.5
[M+K]+	246.06393	148.3
[M+H-H2O]+	190.09803	137.9
[M+HCOO]-	252.09897	160.8
[M+CH3COO]-	266.11462	179.5
[M+Na-2H]-	228.07544	151.2
[M]+	207.10022	139.9
[M]-	207.10132	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe