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

literature stripe

Patent stripe

patents stripe