CID 178244346

4,6-dihydroxy-2h-triazolo[4,5-b]pyridin-5-one

Structural Information

Molecular Formula
C5H4N4O3
SMILES
C1=C(C(=O)N(C2=NNN=C21)O)O
InChI
InChI=1S/C5H4N4O3/c10-3-1-2-4(7-8-6-2)9(12)5(3)11/h1,10,12H,(H,6,7,8)
InChIKey
VEHRPHGWYGKHDB-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-2H-triazolo[4,5-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02834 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.035616 130.2
[M+Na]+ 191.017558 143.3
[M-H]- 167.021064 127.3
[M+NH4]+ 186.062163 146.7
[M+K]+ 206.991498 139.2
[M+H-H2O]+ 151.025600 123.4
[M+HCOO]- 213.026541 149.1
[M+CH3COO]- 227.042191 143.3
[M+Na-2H]- 189.003006 138.1
[M]+ 168.02779142 130.9
[M]- 168.02888858 130.9
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

No patent data available for this compound.