CID 90209994

Methyl 5-formyl-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CN1C(=CC(=N1)C(=O)OC)C=O
InChI
InChI=1S/C7H8N2O3/c1-9-5(4-10)3-6(8-9)7(11)12-2/h3-4H,1-2H3
InChIKey
FTMRMHLZVOYISQ-UHFFFAOYSA-N
Compound name
methyl 5-formyl-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 134.2
[M+Na]+ 191.04272 145.1
[M+NH4]+ 186.08732 140.3
[M+K]+ 207.01666 142.9
[M-H]- 167.04622 132.8
[M+Na-2H]- 189.02817 138.1
[M]+ 168.05295 134.9
[M]- 168.05405 134.9
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