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 139.7
[M+Na]+ 228.03796 151.5
[M-H]- 204.04146 141.4
[M+NH4]+ 223.08256 157.8
[M+K]+ 244.01190 149.3
[M+H-H2O]+ 188.04600 132.0
[M+HCOO]- 250.04694 162.4
[M+CH3COO]- 264.06259 183.6
[M+Na-2H]- 226.02341 146.9
[M]+ 205.04819 145.1
[M]- 205.04929 145.1
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

No patent data available for this compound.