CID 154872964

2490406-01-2

Structural Information

Molecular Formula

C₈H₇N₃O₃

SMILES

COC(=O)C1=CNC(=O)C2=CC=NN21

InChI

InChI=1S/C8H7N3O3/c1-14-8(13)6-4-9-7(12)5-2-3-10-11(5)6/h2-4H,1H3,(H,9,12)

InChIKey

OVOAVBLPJBPTPF-UHFFFAOYSA-N

Compound name

methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.04874 Da
Monoisotopic Mass: -0.2
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]+	194.05602	136.2
[M+Na]+	216.03796	148.0
[M-H]-	192.04146	136.7
[M+NH4]+	211.08256	154.2
[M+K]+	232.01190	145.1
[M+H-H2O]+	176.04600	129.0
[M+HCOO]-	238.04694	157.8
[M+CH3COO]-	252.06259	178.2
[M+Na-2H]-	214.02341	143.4
[M]+	193.04819	139.4
[M]-	193.04929	139.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.