CID 3075981

129521-49-9

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CN1C(=NNC1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C10H11N3O2/c1-13-9(11-12-10(13)14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H,12,14)

InChIKey

DXQFDIPJCAMXTM-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 205.08513 Da
Monoisotopic Mass: 1.0
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]+	206.09241	143.9
[M+Na]+	228.07435	157.5
[M+NH4]+	223.11895	150.5
[M+K]+	244.04829	153.7
[M-H]-	204.07785	145.0
[M+Na-2H]-	226.05980	150.9
[M]+	205.08458	145.9
[M]-	205.08568	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.