CID 214627

33544-02-4

Structural Information

Molecular Formula

C₁₁H₈N₄O₂

SMILES

CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=NNN=N3

InChI

InChI=1S/C11H8N4O2/c1-6-3-2-4-7-8(16)5-9(17-10(6)7)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)

InChIKey

JJYZKDKAKOHVRX-UHFFFAOYSA-N

Compound name

8-methyl-2-(2H-tetrazol-5-yl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.06473 Da
Monoisotopic Mass: 1.1
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]+	229.07201	147.1
[M+Na]+	251.05395	163.7
[M+NH4]+	246.09855	154.0
[M+K]+	267.02789	159.5
[M-H]-	227.05745	150.1
[M+Na-2H]-	249.03940	155.1
[M]+	228.06418	150.3
[M]-	228.06528	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe