CID 5270802

5'-homoadenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO)O)O)N
InChI
InChI=1S/C11H15N5O4/c12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(20-11)1-2-17/h3-5,7-8,11,17-19H,1-2H2,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
VKWULFMZMWUAOR-IOSLPCCCSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-hydroxyethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

281.1124 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.4
[M+Na]+ 304.10162 171.2
[M-H]- 280.10512 162.0
[M+NH4]+ 299.14622 173.1
[M+K]+ 320.07556 167.8
[M+H-H2O]+ 264.10966 153.6
[M+HCOO]- 326.11060 177.1
[M+CH3COO]- 340.12625 171.8
[M+Na-2H]- 302.08707 162.7
[M]+ 281.11185 161.8
[M]- 281.11295 161.8
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