CID 22280352

500011-88-1

Structural Information

Molecular Formula
C11H12ClN3O3
SMILES
CCOC(=O)C1CC(=O)NN1C2=C(C=CC=N2)Cl
InChI
InChI=1S/C11H12ClN3O3/c1-2-18-11(17)8-6-9(16)14-15(8)10-7(12)4-3-5-13-10/h3-5,8H,2,6H2,1H3,(H,14,16)
InChIKey
GWGIBEMOOVJUPI-UHFFFAOYSA-N
Compound name
ethyl 2-(3-chloro-2-pyridinyl)-5-oxopyrazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

226
Patents

269.05673 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06401 157.6
[M+Na]+ 292.04595 166.4
[M-H]- 268.04945 159.1
[M+NH4]+ 287.09055 171.8
[M+K]+ 308.01989 161.9
[M+H-H2O]+ 252.05399 149.5
[M+HCOO]- 314.05493 170.7
[M+CH3COO]- 328.07058 191.2
[M+Na-2H]- 290.03140 158.3
[M]+ 269.05618 158.4
[M]- 269.05728 158.4
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.