CID 214619

33543-94-1

Structural Information

Molecular Formula
C11H8N4O2
SMILES
CC1=CC2=C(C=C1)OC(=CC2=O)C3=NNN=N3
InChI
InChI=1S/C11H8N4O2/c1-6-2-3-9-7(4-6)8(16)5-10(17-9)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)
InChIKey
BEOKBEMARSHQIW-UHFFFAOYSA-N
Compound name
6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.06473 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.072006 147.8
[M+Na]+ 251.053948 160.8
[M-H]- 227.057454 151.0
[M+NH4]+ 246.098553 161.5
[M+K]+ 267.027888 156.4
[M+H-H2O]+ 211.061990 138.7
[M+HCOO]- 273.062931 167.8
[M+CH3COO]- 287.078581 160.9
[M+Na-2H]- 249.039396 156.0
[M]+ 228.06418142 150.8
[M]- 228.06527858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe