CID 455883

8aza-isodda

Structural Information

Molecular Formula
C9H12N6O2
SMILES
C1[C@H](CO[C@H]1CO)N2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C9H12N6O2/c10-8-7-9(12-4-11-8)15(14-13-7)5-1-6(2-16)17-3-5/h4-6,16H,1-3H2,(H2,10,11,12)/t5-,6-/m1/s1
InChIKey
QZCMHOFGDPTVHI-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.10217 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10945 149.9
[M+Na]+ 259.09139 160.2
[M-H]- 235.09489 151.2
[M+NH4]+ 254.13599 163.1
[M+K]+ 275.06533 157.4
[M+H-H2O]+ 219.09943 140.6
[M+HCOO]- 281.10037 167.5
[M+CH3COO]- 295.11602 161.4
[M+Na-2H]- 257.07684 153.8
[M]+ 236.10162 150.0
[M]- 236.10272 150.0
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.