CID 5275340

[(1s,3r)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2,2,3-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C13H20N6O
SMILES
C[C@]1(CC[C@@H](C1(C)C)CO)N2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C13H20N6O/c1-12(2)8(6-20)4-5-13(12,3)19-11-9(17-18-19)10(14)15-7-16-11/h7-8,20H,4-6H2,1-3H3,(H2,14,15,16)/t8-,13-/m1/s1
InChIKey
VRZXWHGMINYXHW-AMIZOPFISA-N
Compound name
[(1S,3R)-3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2,2,3-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.16986 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17714 161.6
[M+Na]+ 299.15908 173.3
[M-H]- 275.16258 163.0
[M+NH4]+ 294.20368 179.1
[M+K]+ 315.13302 168.7
[M+H-H2O]+ 259.16712 153.1
[M+HCOO]- 321.16806 179.1
[M+CH3COO]- 335.18371 172.9
[M+Na-2H]- 297.14453 165.2
[M]+ 276.16931 162.5
[M]- 276.17041 162.5
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.