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]+ 222.08733 148.9
[M+Na]+ 244.06927 160.1
[M+NH4]+ 239.11387 154.3
[M+K]+ 260.04321 155.9
[M-H]- 220.07277 148.8
[M+Na-2H]- 242.05472 153.9
[M]+ 221.07950 150.0
[M]- 221.08060 150.0
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.