CID 135538677

122624-82-2

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1C[C@@H](C[C@@H]1CO)N2C3=C(C(=O)NC(=N3)N)N=N2
InChI
InChI=1S/C10H14N6O2/c11-10-12-8-7(9(18)13-10)14-15-16(8)6-2-1-5(3-6)4-17/h5-6,17H,1-4H2,(H3,11,12,13,18)/t5-,6+/m1/s1
InChIKey
RRVVFTWEGVLWLH-RITPCOANSA-N
Compound name
5-amino-3-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

250.11783 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 154.9
[M+Na]+ 273.10705 165.4
[M-H]- 249.11055 154.7
[M+NH4]+ 268.15165 168.4
[M+K]+ 289.08099 160.2
[M+H-H2O]+ 233.11509 146.1
[M+HCOO]- 295.11603 171.9
[M+CH3COO]- 309.13168 165.6
[M+Na-2H]- 271.09250 157.0
[M]+ 250.11728 152.8
[M]- 250.11838 152.8
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.