CID 24209072

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

Structural Information

Molecular Formula
C10H11N3O4
SMILES
COC(=O)C1=CN(N=C1C(=O)OC)CCC#N
InChI
InChI=1S/C10H11N3O4/c1-16-9(14)7-6-13(5-3-4-11)12-8(7)10(15)17-2/h6H,3,5H2,1-2H3
InChIKey
UGVYSMXOBXJBPG-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-cyanoethyl)pyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 149.7
[M+Na]+ 260.06417 158.7
[M+NH4]+ 255.10877 151.1
[M+K]+ 276.03811 154.0
[M-H]- 236.06767 140.4
[M+Na-2H]- 258.04962 149.9
[M]+ 237.07440 147.0
[M]- 237.07550 147.0
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.