CID 3025529

103876-48-8

Structural Information

Molecular Formula
C12H8N4O5
SMILES
C1=CC2=C(C(=C1)OCC(=O)O)OC(=O)C(=C2)C3=NNN=N3
InChI
InChI=1S/C12H8N4O5/c17-9(18)5-20-8-3-1-2-6-4-7(11-13-15-16-14-11)12(19)21-10(6)8/h1-4H,5H2,(H,17,18)(H,13,14,15,16)
InChIKey
XCBRQIYJYRWEFW-UHFFFAOYSA-N
Compound name
2-[2-oxo-3-(2H-tetrazol-5-yl)chromen-8-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.04947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05675 159.2
[M+Na]+ 311.03869 170.4
[M-H]- 287.04219 161.2
[M+NH4]+ 306.08329 169.2
[M+K]+ 327.01263 167.0
[M+H-H2O]+ 271.04673 149.9
[M+HCOO]- 333.04767 177.1
[M+CH3COO]- 347.06332 170.6
[M+Na-2H]- 309.02414 165.8
[M]+ 288.04892 163.6
[M]- 288.05002 163.7
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