CID 3058334

75055-18-4

Structural Information

Molecular Formula
C10H6N4O3
SMILES
C1=CC2=C(C(=C1)O)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C10H6N4O3/c15-7-3-1-2-5-4-6(9-11-13-14-12-9)10(16)17-8(5)7/h1-4,15H,(H,11,12,13,14)
InChIKey
UOYJXGHNJLFTDE-UHFFFAOYSA-N
Compound name
8-hydroxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.04399 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05127 146.3
[M+Na]+ 253.03321 159.2
[M-H]- 229.03671 148.4
[M+NH4]+ 248.07781 159.2
[M+K]+ 269.00715 154.8
[M+H-H2O]+ 213.04125 137.6
[M+HCOO]- 275.04219 165.4
[M+CH3COO]- 289.05784 159.0
[M+Na-2H]- 251.01866 154.8
[M]+ 230.04344 148.7
[M]- 230.04454 148.7
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