CID 18945368

2377036-16-1

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

COC(=O)C1=CN=CC(=C1)C2=CC=NN2

InChI

InChI=1S/C10H9N3O2/c1-15-10(14)8-4-7(5-11-6-8)9-2-3-12-13-9/h2-6H,1H3,(H,12,13)

InChIKey

GKTYGHUBSWUTHQ-UHFFFAOYSA-N

Compound name

methyl 5-(1H-pyrazol-5-yl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.06947 Da
Monoisotopic Mass: 0.7
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]+	204.07675	143.4
[M+Na]+	226.05869	156.0
[M+NH4]+	221.10329	149.9
[M+K]+	242.03263	152.6
[M-H]-	202.06219	144.1
[M+Na-2H]-	224.04414	150.6
[M]+	203.06892	145.1
[M]-	203.07002	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe