CID 135438607

9-riburonosylhypoxanthine(1-)

Structural Information

Molecular Formula
C10H10N4O6
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O
InChI
InChI=1S/C10H10N4O6/c15-4-5(16)9(20-6(4)10(18)19)14-2-13-3-7(14)11-1-12-8(3)17/h1-2,4-6,9,15-16H,(H,18,19)(H,11,12,17)/t4-,5+,6-,9+/m0/s1
InChIKey
YALKLGGFZOUJBN-SOVPELCUSA-N
Compound name
(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

282.06003 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06731 157.7
[M+Na]+ 305.04925 168.0
[M-H]- 281.05275 157.7
[M+NH4]+ 300.09385 168.8
[M+K]+ 321.02319 165.2
[M+H-H2O]+ 265.05729 150.8
[M+HCOO]- 327.05823 171.4
[M+CH3COO]- 341.07388 189.3
[M+Na-2H]- 303.03470 158.4
[M]+ 282.05948 158.4
[M]- 282.06058 158.4
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