CID 75481195

Ethyl 4-formyl-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC(=O)C1=NN(C=C1C=O)C
InChI
InChI=1S/C8H10N2O3/c1-3-13-8(12)7-6(5-11)4-10(2)9-7/h4-5H,3H2,1-2H3
InChIKey
OPBYCPSBPGSNCJ-UHFFFAOYSA-N
Compound name
ethyl 4-formyl-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.0
[M+Na]+ 205.058358 145.9
[M-H]- 181.061864 137.6
[M+NH4]+ 200.102963 155.5
[M+K]+ 221.032298 145.1
[M+H-H2O]+ 165.066400 129.3
[M+HCOO]- 227.067341 159.1
[M+CH3COO]- 241.082991 180.5
[M+Na-2H]- 203.043806 139.9
[M]+ 182.06859142 140.3
[M]- 182.06968858 140.3
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