CID 2735089

4928-88-5

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

COC(=O)C1=NC=NN1

InChI

InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)

InChIKey

QMPFMODFBNEYJH-UHFFFAOYSA-N

Compound name

methyl 1H-1,2,4-triazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1230
Patents: 127.03818 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]+	128.04546	123.6
[M+Na]+	150.02740	133.9
[M+NH4]+	145.07200	129.8
[M+K]+	166.00134	132.2
[M-H]-	126.03090	121.5
[M+Na-2H]-	148.01285	128.2
[M]+	127.03763	124.0
[M]-	127.03873	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe