CID 513271

Chembl130251

Structural Information

Molecular Formula
C7H10N6O2
SMILES
C1=NC2=NN(N=C2C(=N1)N)C[C@@H](CO)O
InChI
InChI=1S/C7H10N6O2/c8-6-5-7(10-3-9-6)12-13(11-5)1-4(15)2-14/h3-4,14-15H,1-2H2,(H2,8,9,10,12)/t4-/m0/s1
InChIKey
WUFWSSNZPJYBOJ-BYPYZUCNSA-N
Compound name
(2S)-3-(7-aminotriazolo[4,5-d]pyrimidin-2-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.08652 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09380 144.0
[M+Na]+ 233.07574 154.5
[M-H]- 209.07924 140.2
[M+NH4]+ 228.12034 157.3
[M+K]+ 249.04968 150.8
[M+H-H2O]+ 193.08378 135.5
[M+HCOO]- 255.08472 161.5
[M+CH3COO]- 269.10037 155.1
[M+Na-2H]- 231.06119 150.7
[M]+ 210.08597 144.5
[M]- 210.08707 144.5
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

No patent data available for this compound.