CID 24208970

Dimethyl 1-(2-cyanoethyl)-5-methyl-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CC1=C(C(=NN1CCC#N)C(=O)OC)C(=O)OC
InChI
InChI=1S/C11H13N3O4/c1-7-8(10(15)17-2)9(11(16)18-3)13-14(7)6-4-5-12/h4,6H2,1-3H3
InChIKey
JWAOJYWKCDHIFP-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-cyanoethyl)-5-methylpyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 152.6
[M+Na]+ 274.07982 161.7
[M+NH4]+ 269.12442 153.9
[M+K]+ 290.05376 157.1
[M-H]- 250.08332 143.3
[M+Na-2H]- 272.06527 152.4
[M]+ 251.09005 150.0
[M]- 251.09115 150.0
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.

Patent stripe

No patent data available for this compound.