CID 3059217

76239-47-9

Structural Information

Molecular Formula
C11H8N4O3
SMILES
CC1=CC2=C(C(=C1)O)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C11H8N4O3/c1-5-2-6-4-7(10-12-14-15-13-10)11(17)18-9(6)8(16)3-5/h2-4,16H,1H3,(H,12,13,14,15)
InChIKey
LXYIUUCFAWRDDD-UHFFFAOYSA-N
Compound name
8-hydroxy-6-methyl-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.05965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06693 151.9
[M+Na]+ 267.04887 165.2
[M-H]- 243.05237 154.2
[M+NH4]+ 262.09347 164.5
[M+K]+ 283.02281 160.5
[M+H-H2O]+ 227.05691 143.2
[M+HCOO]- 289.05785 170.6
[M+CH3COO]- 303.07350 164.4
[M+Na-2H]- 265.03432 159.0
[M]+ 244.05910 155.0
[M]- 244.06020 155.0
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