CID 5459908

5'-deoxyadenosin-5'-yl radical

Structural Information

Molecular Formula
C10H12N5O3
SMILES
[CH2][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H12N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
FMJPFPZKXLRBOJ-KQYNXXCUSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09401 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10129 154.3
[M+Na]+ 273.08323 165.2
[M+NH4]+ 268.12783 159.6
[M+K]+ 289.05717 166.3
[M-H]- 249.08673 155.5
[M+Na-2H]- 271.06868 156.8
[M]+ 250.09346 155.8
[M]- 250.09456 155.8
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

No patent data available for this compound.