CID 60961

Adenosine

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
OIRDTQYFTABQOQ-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

56153
References

207194
Patents

267.09674 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.9
[M+Na]+ 290.08596 167.8
[M+NH4]+ 285.13056 162.3
[M+K]+ 306.05990 169.8
[M-H]- 266.08946 158.2
[M+Na-2H]- 288.07141 159.4
[M]+ 267.09619 158.8
[M]- 267.09729 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe