CID 42873667

951626-95-2

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CCOC(=O)C1=NN2CCNC(=O)C2=C1
InChI
InChI=1S/C9H11N3O3/c1-2-15-9(14)6-5-7-8(13)10-3-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
InChIKey
RNMVWTOANIAUAU-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

209.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 144.9
[M+Na]+ 232.069268 153.1
[M-H]- 208.072774 144.0
[M+NH4]+ 227.113873 161.8
[M+K]+ 248.043208 150.7
[M+H-H2O]+ 192.077310 137.3
[M+HCOO]- 254.078251 161.7
[M+CH3COO]- 268.093901 182.1
[M+Na-2H]- 230.054716 148.5
[M]+ 209.07950142 144.1
[M]- 209.08059858 144.1
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

patents stripe