CID 214634

33544-10-4

Structural Information

Molecular Formula
C11H8N4O2
SMILES
CC1=C(OC2=CC=CC=C2C1=O)C3=NNN=N3
InChI
InChI=1S/C11H8N4O2/c1-6-9(16)7-4-2-3-5-8(7)17-10(6)11-12-14-15-13-11/h2-5H,1H3,(H,12,13,14,15)
InChIKey
ZKNBEVSECMLVAN-UHFFFAOYSA-N
Compound name
3-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.06473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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