CID 126870

Acpd cpd

Structural Information

Molecular Formula
C9H10ClN5O3
SMILES
C1[C@H](O[C@@H](O1)CO)N2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C9H10ClN5O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5+/m0/s1
InChIKey
AHZYYPABMTXZCC-CRCLSJGQSA-N
Compound name
[(2R,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

45
Patents

271.0472 Da
Monoisotopic Mass

-0.6
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

No patent data available for this compound.