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 148.8
[M+Na]+ 244.06927 155.1
[M-H]- 220.07277 148.4
[M+NH4]+ 239.11387 161.0
[M+K]+ 260.04321 151.4
[M+H-H2O]+ 204.07731 140.0
[M+HCOO]- 266.07825 163.1
[M+CH3COO]- 280.09390 182.1
[M+Na-2H]- 242.05472 152.4
[M]+ 221.07950 143.0
[M]- 221.08060 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.