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]+ 206.056016 139.7
[M+Na]+ 228.037958 151.5
[M-H]- 204.041464 141.4
[M+NH4]+ 223.082563 157.8
[M+K]+ 244.011898 149.3
[M+H-H2O]+ 188.046000 132.0
[M+HCOO]- 250.046941 162.4
[M+CH3COO]- 264.062591 183.6
[M+Na-2H]- 226.023406 146.9
[M]+ 205.04819142 145.1
[M]- 205.04928858 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.