CID 439182

5'-deoxyadenosine

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
XGYIMTFOTBMPFP-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

246
References

2649
Patents

251.10184 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.109116 154.8
[M+Na]+ 274.091058 165.8
[M-H]- 250.094564 156.8
[M+NH4]+ 269.135663 168.6
[M+K]+ 290.064998 162.7
[M+H-H2O]+ 234.099100 147.1
[M+HCOO]- 296.100041 172.1
[M+CH3COO]- 310.115691 166.5
[M+Na-2H]- 272.076506 156.7
[M]+ 251.10129142 155.2
[M]- 251.10238858 155.2
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