CID 503161

Chembl222734

Structural Information

Molecular Formula
C11H16N6O
SMILES
C1C[C@@H]([C@@H](C1)CO)CN2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C11H16N6O/c12-10-9-11(14-6-13-10)17(16-15-9)4-7-2-1-3-8(7)5-18/h6-8,18H,1-5H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKey
QIPUEUAIHMZFRN-SFYZADRCSA-N
Compound name
[(1R,2S)-2-[(7-aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.13857 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14585 155.3
[M+Na]+ 271.12779 164.8
[M-H]- 247.13129 155.7
[M+NH4]+ 266.17239 169.4
[M+K]+ 287.10173 160.2
[M+H-H2O]+ 231.13583 145.6
[M+HCOO]- 293.13677 173.1
[M+CH3COO]- 307.15242 166.0
[M+Na-2H]- 269.11324 158.0
[M]+ 248.13802 154.2
[M]- 248.13912 154.2
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.