CID 503160

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

Structural Information

Molecular Formula
C10H14N6O
SMILES
C1C[C@H]([C@H](C1)N2C3=NC=NC(=C3N=N2)N)CO
InChI
InChI=1S/C10H14N6O/c11-9-8-10(13-5-12-9)16(15-14-8)7-3-1-2-6(7)4-17/h5-7,17H,1-4H2,(H2,11,12,13)/t6-,7-/m0/s1
InChIKey
GNQAQSRNMQBWSQ-BQBZGAKWSA-N
Compound name
[(1R,2S)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.12291 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13019 151.0
[M+Na]+ 257.11213 161.0
[M-H]- 233.11563 151.7
[M+NH4]+ 252.15673 165.7
[M+K]+ 273.08607 156.7
[M+H-H2O]+ 217.12017 141.5
[M+HCOO]- 279.12111 169.2
[M+CH3COO]- 293.13676 162.2
[M+Na-2H]- 255.09758 154.2
[M]+ 234.12236 149.6
[M]- 234.12346 149.6
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.