CID 455045

Bch-1230

Structural Information

Molecular Formula
C9H11N5O2S
SMILES
C1[C@@H](S[C@@H](O1)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O2S/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-16-6(1-15)17-5/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6-/m1/s1
InChIKey
UXBLEIWMFILNFD-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(6-aminopurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06334 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07062 152.2
[M+Na]+ 276.05256 163.3
[M+NH4]+ 271.09716 159.0
[M+K]+ 292.02650 161.1
[M-H]- 252.05606 154.6
[M+Na-2H]- 274.03801 155.9
[M]+ 253.06279 154.6
[M]- 253.06389 154.6
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.