CID 63381274

1343270-71-2

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

CCOC(=O)C1=NC(=NN1)C2=CN=CC=C2

InChI

InChI=1S/C10H10N4O2/c1-2-16-10(15)9-12-8(13-14-9)7-4-3-5-11-6-7/h3-6H,2H2,1H3,(H,12,13,14)

InChIKey

YYBZOGZYIMDIRE-UHFFFAOYSA-N

Compound name

ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.08037 Da
Monoisotopic Mass: 1.1
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]+	219.08765	147.4
[M+Na]+	241.06959	159.7
[M+NH4]+	236.11419	153.0
[M+K]+	257.04353	156.6
[M-H]-	217.07309	147.2
[M+Na-2H]-	239.05504	154.1
[M]+	218.07982	148.7
[M]-	218.08092	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe