CID 452106

122624-71-9

Structural Information

Molecular Formula
C10H15N7O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C3=NC(=NC(=C3N=N2)N)N
InChI
InChI=1S/C10H15N7O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-2-1-5(3-6)4-18/h5-6,18H,1-4H2,(H4,11,12,13,14)/t5-,6+/m1/s1
InChIKey
XVVDNPNNTOBKDF-RITPCOANSA-N
Compound name
[(1R,3S)-3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

249.1338 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14108 154.3
[M+Na]+ 272.12302 164.3
[M-H]- 248.12652 155.1
[M+NH4]+ 267.16762 168.2
[M+K]+ 288.09696 159.7
[M+H-H2O]+ 232.13106 145.0
[M+HCOO]- 294.13200 173.0
[M+CH3COO]- 308.14765 165.2
[M+Na-2H]- 270.10847 156.8
[M]+ 249.13325 151.9
[M]- 249.13435 151.9
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