CID 98568

63666-11-5

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CCOC(=O)C1=NC(=NN1)N

InChI

InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)

InChIKey

MLVNUTAJXZZPCJ-UHFFFAOYSA-N

Compound name

ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 156.06473 Da
Monoisotopic Mass: 0.2
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]+	157.07201	131.1
[M+Na]+	179.05395	140.0
[M+NH4]+	174.09855	136.5
[M+K]+	195.02789	139.0
[M-H]-	155.05745	129.1
[M+Na-2H]-	177.03940	134.5
[M]+	156.06418	131.2
[M]-	156.06528	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe