CID 155820270

2567502-25-2

Structural Information

Molecular Formula
C9H7N3O3
SMILES
COC(=O)C1=NC=CN2C1=C(C=N2)C=O
InChI
InChI=1S/C9H7N3O3/c1-15-9(14)7-8-6(5-13)4-11-12(8)3-2-10-7/h2-5H,1H3
InChIKey
YSZCUPNEYQCPOC-UHFFFAOYSA-N
Compound name
methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 141.0
[M+Na]+ 228.03796 154.2
[M+NH4]+ 223.08256 147.4
[M+K]+ 244.01190 151.1
[M-H]- 204.04146 140.2
[M+Na-2H]- 226.02341 146.4
[M]+ 205.04819 142.4
[M]- 205.04929 142.4
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.