CID 612416

174139-65-2

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CCOC(=O)C1=CC(=NN1)C2=CC=CC=N2

InChI

InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14)

InChIKey

UDPAIBGYGUIPAP-UHFFFAOYSA-N

Compound name

ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 217.08513 Da
Monoisotopic Mass: 1.4
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]+	218.09241	146.9
[M+Na]+	240.07435	155.2
[M-H]-	216.07785	148.6
[M+NH4]+	235.11895	162.2
[M+K]+	256.04829	151.8
[M+H-H2O]+	200.08239	138.0
[M+HCOO]-	262.08333	167.2
[M+CH3COO]-	276.09898	183.1
[M+Na-2H]-	238.05980	151.5
[M]+	217.08458	147.2
[M]-	217.08568	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe