CID 43647251

Ethyl 2-(4-formyl-3,5-dimethyl-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCOC(=O)CN1C(=C(C(=N1)C)C=O)C
InChI
InChI=1S/C10H14N2O3/c1-4-15-10(14)5-12-8(3)9(6-13)7(2)11-12/h6H,4-5H2,1-3H3
InChIKey
UWZMNYIYHNRFIO-UHFFFAOYSA-N
Compound name
ethyl 2-(4-formyl-3,5-dimethylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 144.6
[M+Na]+ 233.089668 154.5
[M-H]- 209.093174 146.3
[M+NH4]+ 228.134273 163.2
[M+K]+ 249.063608 153.2
[M+H-H2O]+ 193.097710 137.9
[M+HCOO]- 255.098651 167.0
[M+CH3COO]- 269.114301 187.8
[M+Na-2H]- 231.075116 146.7
[M]+ 210.09990142 150.0
[M]- 210.10099858 150.0
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.