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]+ 199.10773 143.5
[M+Na]+ 221.08967 154.3
[M+NH4]+ 216.13427 149.5
[M+K]+ 237.06361 151.9
[M-H]- 197.09317 142.3
[M+Na-2H]- 219.07512 146.8
[M]+ 198.09990 144.4
[M]- 198.10100 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.