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

85
Patents

209.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 144.9
[M+Na]+ 232.06927 153.1
[M-H]- 208.07277 144.0
[M+NH4]+ 227.11387 161.8
[M+K]+ 248.04321 150.7
[M+H-H2O]+ 192.07731 137.3
[M+HCOO]- 254.07825 161.7
[M+CH3COO]- 268.09390 182.1
[M+Na-2H]- 230.05472 148.5
[M]+ 209.07950 144.1
[M]- 209.08060 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