CID 135410720

7h-1,2,3-triazolo[4,5-d]pyrimidin-7-one, 1,4-dihydro-

Structural Information

Molecular Formula
C4H3N5O
SMILES
C1=NC2=NNN=C2C(=O)N1
InChI
InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)
InChIKey
OEEYCNOOAHGFHL-UHFFFAOYSA-N
Compound name
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

627
Patents

137.03375 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04103 123.8
[M+Na]+ 160.02297 136.3
[M-H]- 136.02647 120.2
[M+NH4]+ 155.06757 140.4
[M+K]+ 175.99691 132.0
[M+H-H2O]+ 120.03101 115.8
[M+HCOO]- 182.03195 142.8
[M+CH3COO]- 196.04760 136.8
[M+Na-2H]- 158.00842 134.0
[M]+ 137.03320 122.9
[M]- 137.03430 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe