CID 353963

Ethyl 1h-pyrazolo[1,5-a]imidazole-7-carboxylate

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CCOC(=O)C1=CNN2C1=NC=C2
InChI
InChI=1S/C8H9N3O2/c1-2-13-8(12)6-5-10-11-4-3-9-7(6)11/h3-5,10H,2H2,1H3
InChIKey
YHKDPXNVHBXOIU-UHFFFAOYSA-N
Compound name
ethyl 5H-imidazo[1,2-b]pyrazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

179.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.0
[M+Na]+ 202.058688 146.5
[M-H]- 178.062194 136.3
[M+NH4]+ 197.103293 156.1
[M+K]+ 218.032628 144.4
[M+H-H2O]+ 162.066730 128.9
[M+HCOO]- 224.067671 158.0
[M+CH3COO]- 238.083321 176.1
[M+Na-2H]- 200.044136 141.1
[M]+ 179.06892142 138.9
[M]- 179.07001858 138.9
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

patents stripe