CID 43143064

4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H11N3O3
SMILES
C1CN(CC(=O)N1)C2=CC(=NC=C2)C(=O)O
InChI
InChI=1S/C10H11N3O3/c14-9-6-13(4-3-12-9)7-1-2-11-8(5-7)10(15)16/h1-2,5H,3-4,6H2,(H,12,14)(H,15,16)
InChIKey
HDXFVKNTIPFICP-UHFFFAOYSA-N
Compound name
4-(3-oxopiperazin-1-yl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 148.8
[M+Na]+ 244.069268 155.1
[M-H]- 220.072774 148.4
[M+NH4]+ 239.113873 161.0
[M+K]+ 260.043208 151.4
[M+H-H2O]+ 204.077310 140.0
[M+HCOO]- 266.078251 163.1
[M+CH3COO]- 280.093901 182.1
[M+Na-2H]- 242.054716 152.4
[M]+ 221.07950142 143.0
[M]- 221.08059858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.