CID 3058333

75055-14-0

Structural Information

Molecular Formula
C11H8N4O3
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C11H8N4O3/c1-17-8-4-2-3-6-5-7(10-12-14-15-13-10)11(16)18-9(6)8/h2-5H,1H3,(H,12,13,14,15)
InChIKey
ZKPLYODEWBETCB-UHFFFAOYSA-N
Compound name
8-methoxy-3-(2H-tetrazol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 150.4
[M+Na]+ 267.04887 163.2
[M-H]- 243.05237 153.6
[M+NH4]+ 262.09347 163.3
[M+K]+ 283.02281 159.4
[M+H-H2O]+ 227.05691 141.1
[M+HCOO]- 289.05785 170.6
[M+CH3COO]- 303.07350 163.3
[M+Na-2H]- 265.03432 158.7
[M]+ 244.05910 154.8
[M]- 244.06020 154.8
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