CID 136230266

62191-35-9

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C(C=C1)C2=NN=C(NC2=O)CO

InChI

InChI=1S/C10H9N3O2/c14-6-8-11-10(15)9(13-12-8)7-4-2-1-3-5-7/h1-5,14H,6H2,(H,11,12,15)

InChIKey

HRXDWTSTJGWGDW-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-6-phenyl-4H-1,2,4-triazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.06947 Da
Monoisotopic Mass: 0.3
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]+	204.07675	143.0
[M+Na]+	226.05869	157.8
[M+NH4]+	221.10329	149.6
[M+K]+	242.03263	151.7
[M-H]-	202.06219	144.5
[M+Na-2H]-	224.04414	151.6
[M]+	203.06892	145.4
[M]-	203.07002	145.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.