CID 180466

127682-82-0

Structural Information

Molecular Formula
C10H11ClN4O2
SMILES
C1[C@H](CO[C@H]1CO)N2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C10H11ClN4O2/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(2-16)17-3-6/h4-7,16H,1-3H2/t6-,7-/m1/s1
InChIKey
NDJYDTKOJSYYJQ-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(6-chloropurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

254.05705 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06433 153.1
[M+Na]+ 277.04627 164.5
[M-H]- 253.04977 155.5
[M+NH4]+ 272.09087 168.3
[M+K]+ 293.02021 160.7
[M+H-H2O]+ 237.05431 144.6
[M+HCOO]- 299.05525 166.5
[M+CH3COO]- 313.07090 165.2
[M+Na-2H]- 275.03172 156.3
[M]+ 254.05650 156.3
[M]- 254.05760 156.3
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

patents stripe