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

literature stripe

Patent stripe

patents stripe