CID 154872965

2490418-50-1

Structural Information

Molecular Formula

C₇H₅N₃O₃

SMILES

C1=C2C(=O)NC=C(N2N=C1)C(=O)O

InChI

InChI=1S/C7H5N3O3/c11-6-4-1-2-9-10(4)5(3-8-6)7(12)13/h1-3H,(H,8,11)(H,12,13)

InChIKey

PRPJDDABSDTUGG-UHFFFAOYSA-N

Compound name

4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.0331 Da
Monoisotopic Mass: -0.5
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]+	180.040376	132.1
[M+Na]+	202.022318	143.8
[M-H]-	178.025824	131.4
[M+NH4]+	197.066923	149.8
[M+K]+	217.996258	140.3
[M+H-H2O]+	162.030360	125.3
[M+HCOO]-	224.031301	152.4
[M+CH3COO]-	238.046951	173.5
[M+Na-2H]-	200.007766	139.3
[M]+	179.03255142	133.2
[M]-	179.03364858	133.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.