CID 21115402

4,5-dihydro-1h-triazolo(4,5-d)pyrimidin-4-ol

Structural Information

Molecular Formula
C4H5N5O
SMILES
C1N=CC2=NNN=C2N1O
InChI
InChI=1S/C4H5N5O/c10-9-2-5-1-3-4(9)7-8-6-3/h1,10H,2H2,(H,6,7,8)
InChIKey
CKNDSAMZNSQIHY-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5-dihydrotriazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.04941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05669 127.4
[M+Na]+ 162.03863 137.5
[M-H]- 138.04213 122.9
[M+NH4]+ 157.08323 143.6
[M+K]+ 178.01257 134.4
[M+H-H2O]+ 122.04667 119.1
[M+HCOO]- 184.04761 143.3
[M+CH3COO]- 198.06326 139.2
[M+Na-2H]- 160.02408 135.5
[M]+ 139.04886 124.3
[M]- 139.04996 124.3
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.