CID 146154983

Ethyl 4-ethynyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C8H8N2O2
SMILES
CCOC(=O)C1=C(C=NN1)C#C
InChI
InChI=1S/C8H8N2O2/c1-3-6-5-9-10-7(6)8(11)12-4-2/h1,5H,4H2,2H3,(H,9,10)
InChIKey
WVFHDUIGVZZZPJ-UHFFFAOYSA-N
Compound name
ethyl 4-ethynyl-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 134.4
[M+Na]+ 187.04780 144.7
[M+NH4]+ 182.09240 137.3
[M+K]+ 203.02174 138.8
[M-H]- 163.05130 125.2
[M+Na-2H]- 185.03325 135.6
[M]+ 164.05803 132.1
[M]- 164.05913 132.1
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.