CID 214623

33543-98-5

Structural Information

Molecular Formula

C₁₁H₈N₄O₂

SMILES

CC1=CC2=C(C=C1)C(=O)C=C(O2)C3=NNN=N3

InChI

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

InChIKey

SKMRAKVMLHQHQT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	147.8
[M+Na]+	251.05395	160.8
[M-H]-	227.05745	151.0
[M+NH4]+	246.09855	161.5
[M+K]+	267.02789	156.4
[M+H-H2O]+	211.06199	138.7
[M+HCOO]-	273.06293	167.8
[M+CH3COO]-	287.07858	160.9
[M+Na-2H]-	249.03940	156.0
[M]+	228.06418	150.8
[M]-	228.06528	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe