CID 136168433

5'-deoxyinosine

Structural Information

Molecular Formula
C10H12N4O4
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CNC3=O)O)O
InChI
InChI=1S/C10H12N4O4/c1-4-6(15)7(16)10(18-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H3,(H,11,12,17)/t4-,6-,7-,10-/m1/s1
InChIKey
IPJDTNIZLKTLEU-KQYNXXCUSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

252.08586 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.7
[M+Na]+ 275.07508 165.2
[M-H]- 251.07858 154.8
[M+NH4]+ 270.11968 167.2
[M+K]+ 291.04902 161.7
[M+H-H2O]+ 235.08312 146.5
[M+HCOO]- 297.08406 169.4
[M+CH3COO]- 311.09971 165.3
[M+Na-2H]- 273.06053 155.5
[M]+ 252.08531 154.6
[M]- 252.08641 154.6
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

No patent data available for this compound.