CID 13730

2'-deoxyadenosine

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKey
OLXZPDWKRNYJJZ-RRKCRQDMSA-N
Compound name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

331
References

30846
Patents

251.10184 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.3
[M+Na]+ 274.09106 163.4
[M-H]- 250.09456 154.9
[M+NH4]+ 269.13566 166.8
[M+K]+ 290.06500 160.4
[M+H-H2O]+ 234.09910 145.2
[M+HCOO]- 296.10004 170.7
[M+CH3COO]- 310.11569 164.7
[M+Na-2H]- 272.07651 156.1
[M]+ 251.10129 153.4
[M]- 251.10239 153.4
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