CID 20039

2',3'-dideoxyadenosine

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey
WVXRAFOPTSTNLL-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

510
References

16801
Patents

235.10692 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 149.5
[M+Na]+ 258.09614 159.4
[M-H]- 234.09964 152.0
[M+NH4]+ 253.14074 164.2
[M+K]+ 274.07008 156.7
[M+H-H2O]+ 218.10418 140.9
[M+HCOO]- 280.10512 168.3
[M+CH3COO]- 294.12077 161.4
[M+Na-2H]- 256.08159 153.3
[M]+ 235.10637 149.5
[M]- 235.10747 149.5
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