CID 46779155

Ethyl 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CCOC(=O)C1=C2N=CC(=CN2N=C1)C=O
InChI
InChI=1S/C10H9N3O3/c1-2-16-10(15)8-4-12-13-5-7(6-14)3-11-9(8)13/h3-6H,2H2,1H3
InChIKey
TZUNKGZQWMSNBR-UHFFFAOYSA-N
Compound name
ethyl 6-formylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 144.4
[M+Na]+ 242.053608 155.7
[M-H]- 218.057114 145.9
[M+NH4]+ 237.098213 161.9
[M+K]+ 258.027548 153.3
[M+H-H2O]+ 202.061650 136.5
[M+HCOO]- 264.062591 166.8
[M+CH3COO]- 278.078241 186.6
[M+Na-2H]- 240.039056 151.0
[M]+ 219.06384142 150.1
[M]- 219.06493858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.