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-chloropyridin-2-yl)-5-oxopyrazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 212
Patents: 269.05673 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe