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]+ 220.07167 144.4
[M+Na]+ 242.05361 155.7
[M-H]- 218.05711 145.9
[M+NH4]+ 237.09821 161.9
[M+K]+ 258.02755 153.3
[M+H-H2O]+ 202.06165 136.5
[M+HCOO]- 264.06259 166.8
[M+CH3COO]- 278.07824 186.6
[M+Na-2H]- 240.03906 151.0
[M]+ 219.06384 150.1
[M]- 219.06494 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.