CID 102533859

Ethyl 5-methoxy-1,4-dimethyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCOC(=O)C1=NN(C(=C1C)OC)C
InChI
InChI=1S/C9H14N2O3/c1-5-14-9(12)7-6(2)8(13-4)11(3)10-7/h5H2,1-4H3
InChIKey
NLAYNQZOCODFEP-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-1,4-dimethylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 141.3
[M+Na]+ 221.089668 151.4
[M-H]- 197.093174 143.1
[M+NH4]+ 216.134273 160.5
[M+K]+ 237.063608 150.9
[M+H-H2O]+ 181.097710 134.7
[M+HCOO]- 243.098651 163.9
[M+CH3COO]- 257.114301 185.6
[M+Na-2H]- 219.075116 143.9
[M]+ 198.09990142 147.0
[M]- 198.10099858 147.0
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.