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

15
Patents

179.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 136.0
[M+Na]+ 202.05869 146.5
[M-H]- 178.06219 136.3
[M+NH4]+ 197.10329 156.1
[M+K]+ 218.03263 144.4
[M+H-H2O]+ 162.06673 128.9
[M+HCOO]- 224.06767 158.0
[M+CH3COO]- 238.08332 176.1
[M+Na-2H]- 200.04414 141.1
[M]+ 179.06892 138.9
[M]- 179.07002 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