CID 135499741

51291-82-8

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

COC1=NNC(=O)N1

InChI

InChI=1S/C3H5N3O2/c1-8-3-4-2(7)5-6-3/h1H3,(H2,4,5,6,7)

InChIKey

ZDINYQOPDQBHQW-UHFFFAOYSA-N

Compound name

3-methoxy-1,4-dihydro-1,2,4-triazol-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 115.03818 Da
Monoisotopic Mass: -0.4
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]+	116.04546	118.6
[M+Na]+	138.02740	128.8
[M-H]-	114.03090	116.1
[M+NH4]+	133.07200	137.7
[M+K]+	154.00134	126.9
[M+H-H2O]+	98.035440	111.9
[M+HCOO]-	160.03638	139.4
[M+CH3COO]-	174.05203	160.8
[M+Na-2H]-	136.01285	125.6
[M]+	115.03763	117.3
[M]-	115.03873	117.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe