CID 37818508

Ethyl 5-isopropyl-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCOC(=O)C1=NN(C(=C1)C(C)C)C
InChI
InChI=1S/C10H16N2O2/c1-5-14-10(13)8-6-9(7(2)3)12(4)11-8/h6-7H,5H2,1-4H3
InChIKey
TUCHFVMVZAUGST-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-5-propan-2-ylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 143.9
[M+Na]+ 219.11041 152.5
[M-H]- 195.11391 145.3
[M+NH4]+ 214.15501 162.9
[M+K]+ 235.08435 151.7
[M+H-H2O]+ 179.11845 137.0
[M+HCOO]- 241.11939 164.9
[M+CH3COO]- 255.13504 186.3
[M+Na-2H]- 217.09586 145.4
[M]+ 196.12064 147.5
[M]- 196.12174 147.5
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