CID 454990

(-).b.dioxol-2cla

Structural Information

Molecular Formula
C9H10ClN5O3
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)Cl)N
InChI
InChI=1S/C9H10ClN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5-/m1/s1
InChIKey
PIGAIMDIRINNKI-RFZPGFLSSA-N
Compound name
[(2R,4R)-4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

271.0472 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05448 157.2
[M+Na]+ 294.03642 168.8
[M-H]- 270.03992 160.3
[M+NH4]+ 289.08102 170.0
[M+K]+ 310.01036 166.2
[M+H-H2O]+ 254.04446 149.2
[M+HCOO]- 316.04540 170.4
[M+CH3COO]- 330.06105 169.0
[M+Na-2H]- 292.02187 160.2
[M]+ 271.04665 160.9
[M]- 271.04775 160.9
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