CID 3088855

Brn 4190564

Structural Information

Molecular Formula

C₁₂H₉N₃O₂

SMILES

CN1N=CC(=N1)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C12H9N3O2/c1-15-13-7-9(14-15)12-6-10(16)8-4-2-3-5-11(8)17-12/h2-7H,1H3

InChIKey

IKRHFXTUODUCFU-UHFFFAOYSA-N

Compound name

2-(2-methyltriazol-4-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.06947 Da
Monoisotopic Mass: 1.5
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]+	228.07675	146.2
[M+Na]+	250.05869	163.4
[M+NH4]+	245.10329	154.2
[M+K]+	266.03263	158.4
[M-H]-	226.06219	150.6
[M+Na-2H]-	248.04414	155.2
[M]+	227.06892	150.0
[M]-	227.07002	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe